 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer06_STD_M11_augccpVDZ.in
 Output=12_L-valine_conformer06_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-22347.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     22348.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer06_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:00:21 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer06_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.457159000000     -0.146332000000     -0.647837000000
  C                                                 1.109574000000     -0.543619000000     -0.050687000000
  C                                                -0.012989000000      0.384911000000     -0.578811000000
  C                                                -1.363704000000     -0.252903000000     -0.259735000000
  O                                                -2.091645000000      0.444358000000      0.645421000000
  C                                                 1.162885000000     -0.565114000000      1.477637000000
  N                                                 0.173654000000      1.758943000000     -0.144286000000
  O                                                -1.758233000000     -1.282971000000     -0.742079000000
  H                                                 0.050109000000      0.366136000000     -1.669549000000
  H                                                 0.854606000000     -1.547323000000     -0.399183000000
  H                                                -2.909790000000     -0.057734000000      0.787298000000
  H                                                -0.455006000000      2.381115000000     -0.636018000000
  H                                                -0.032228000000      1.857361000000      0.841913000000
  H                                                 1.451195000000      0.409891000000      1.876513000000
  H                                                 0.203705000000     -0.845376000000      1.918080000000
  H                                                 1.905982000000     -1.287391000000      1.818568000000
  H                                                 2.716265000000      0.875135000000     -0.368973000000
  H                                                 3.243945000000     -0.813424000000     -0.290625000000
  H                                                 2.437115000000     -0.203744000000     -1.738160000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:00:21 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.457159   -0.146332   -0.647837
      2          6           0        1.109574   -0.543619   -0.050687
      3          6           0       -0.012989    0.384911   -0.578811
      4          6           0       -1.363704   -0.252903   -0.259735
      5          8           0       -2.091645    0.444358    0.645421
      6          6           0        1.162885   -0.565114    1.477637
      7          7           0        0.173654    1.758943   -0.144286
      8          8           0       -1.758233   -1.282971   -0.742079
      9          1           0        0.050109    0.366136   -1.669549
     10          1           0        0.854606   -1.547323   -0.399183
     11          1           0       -2.909790   -0.057734    0.787298
     12          1           0       -0.455006    2.381115   -0.636018
     13          1           0       -0.032228    1.857361    0.841913
     14          1           0        1.451195    0.409891    1.876513
     15          1           0        0.203705   -0.845376    1.918080
     16          1           0        1.905982   -1.287391    1.818568
     17          1           0        2.716265    0.875135   -0.368973
     18          1           0        3.243945   -0.813424   -0.290625
     19          1           0        2.437115   -0.203744   -1.738160
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526568   0.000000
     3  C    2.527571   1.549590   0.000000
     4  C    3.842001   2.499064   1.527432   0.000000
     5  O    4.765821   3.421764   2.413108   1.354761   0.000000
     6  C    2.523522   1.529405   2.552294   3.082140   3.507646
     7  N    3.016294   2.487267   1.453139   2.534625   2.735571
     8  O    4.366962   3.041214   2.419579   1.203889   2.240532
     9  H    2.664659   2.137951   1.092723   2.090371   3.154729
    10  H    2.143077   1.092648   2.125680   2.572133   3.706533
    11  H    5.556222   4.134440   3.233210   1.877432   0.970354
    12  H    3.856013   3.368173   2.045356   2.811649   2.841074
    13  H    3.525789   2.804488   2.046200   2.727576   2.505271
    14  H    2.773750   2.177151   2.858859   3.595345   3.750799
    15  H    3.485778   2.188081   2.791958   2.747849   2.924330
    16  H    2.772898   2.163695   3.496637   4.010032   4.511790
    17  H    1.090090   2.166939   2.780859   4.234448   4.932602
    18  H    1.091625   2.164695   3.482338   4.641720   5.561180
    19  H    1.092017   2.173809   2.773737   4.078527   5.158601
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.001742   0.000000
     8  O    3.738367   3.652778   0.000000
     9  H    3.465585   2.069203   2.617223   0.000000
    10  H    2.140613   3.385271   2.648469   2.433592   0.000000
    11  H    4.161813   3.698079   2.272946   3.869983   4.218683
    12  H    3.970563   1.011984   3.890395   2.320230   4.147746
    13  H    2.775036   1.012256   3.917883   2.921981   3.730773
    14  H    1.092181   2.745119   4.474733   3.813071   3.060294
    15  H    1.092045   3.322158   3.334237   3.789780   2.507212
    16  H    1.090922   4.016703   4.470280   4.283150   2.468071
    17  H    2.810209   2.701198   4.981743   3.009812   3.055322
    18  H    2.742119   4.008138   5.044410   3.673334   2.501866
    19  H    3.477873   3.393498   4.444981   2.455050   2.470303
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.741628   0.000000
    13  H    3.457012   1.623989   0.000000
    14  H    4.519209   3.719158   2.316487   0.000000
    15  H    3.404835   4.167441   2.918662   1.770213   0.000000
    16  H    5.076144   5.005716   3.820992   1.758111   1.761541
    17  H    5.818909   3.520831   3.159941   2.618981   3.808376
    18  H    6.292967   4.899655   4.375962   3.067073   3.757986
    19  H    5.915120   4.032441   4.123419   3.796636   4.332194
                   16         17         18         19
    16  H    0.000000
    17  H    3.180945   0.000000
    18  H    2.542338   1.770824   0.000000
    19  H    3.755890   1.765383   1.765798   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.457159   -0.146332   -0.647837
      2          6           0        1.109574   -0.543619   -0.050687
      3          6           0       -0.012989    0.384911   -0.578811
      4          6           0       -1.363704   -0.252903   -0.259735
      5          8           0       -2.091645    0.444358    0.645421
      6          6           0        1.162885   -0.565114    1.477637
      7          7           0        0.173654    1.758943   -0.144286
      8          8           0       -1.758233   -1.282971   -0.742079
      9          1           0        0.050109    0.366136   -1.669549
     10          1           0        0.854606   -1.547323   -0.399183
     11          1           0       -2.909790   -0.057734    0.787298
     12          1           0       -0.455006    2.381115   -0.636018
     13          1           0       -0.032228    1.857361    0.841913
     14          1           0        1.451195    0.409891    1.876513
     15          1           0        0.203705   -0.845376    1.918080
     16          1           0        1.905982   -1.287391    1.818568
     17          1           0        2.716265    0.875135   -0.368973
     18          1           0        3.243945   -0.813424   -0.290625
     19          1           0        2.437115   -0.203744   -1.738160
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.9902404           1.4258101           1.3186332
 Leave Link  202 at Thu Aug 12 21:00:21 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.7550570018 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:00:24 2021, MaxMem=  5368709120 cpu:              17.8 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  6.91D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 21:00:25 2021, MaxMem=  5368709120 cpu:               4.7 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:00:25 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer06_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:00:26 2021, MaxMem=  5368709120 cpu:               3.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368524961 LenY=  5368435119
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.208589761246    
 DIIS: error= 3.10D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.208589761246     IErMin= 1 ErrMin= 3.10D-03
 ErrMax= 3.10D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-02 BMatP= 1.26D-02
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.10D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.439 Goal=   None    Shift=    0.000
 GapD=    0.439 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.53D-02 MaxDP=1.73D+00              OVMax= 1.66D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.50D-02    CP:  1.12D+00
 E= -402.220340882463     Delta-E=       -0.011751121217 Rises=F Damp=F
 DIIS: error= 9.29D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.220340882463     IErMin= 2 ErrMin= 9.29D-04
 ErrMax= 9.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.28D-04 BMatP= 1.26D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.29D-03
 Coeff-Com:  0.256D-02 0.997D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.254D-02 0.997D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=2.87D-03 MaxDP=3.18D-01 DE=-1.18D-02 OVMax= 8.46D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.17D-03    CP:  1.15D+00  1.17D+00
 E= -402.220665894154     Delta-E=       -0.000325011691 Rises=F Damp=F
 DIIS: error= 9.97D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -402.220665894154     IErMin= 2 ErrMin= 9.29D-04
 ErrMax= 9.97D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.69D-04 BMatP= 6.28D-04
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.97D-03
 Coeff-Com: -0.504D-01 0.508D+00 0.543D+00
 Coeff-En:   0.000D+00 0.231D+00 0.769D+00
 Coeff:     -0.499D-01 0.505D+00 0.545D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=3.77D-04 MaxDP=3.85D-02 DE=-3.25D-04 OVMax= 3.45D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.60D-04    CP:  1.15D+00  1.19D+00  1.11D+00
 E= -402.221042790443     Delta-E=       -0.000376896288 Rises=F Damp=F
 DIIS: error= 1.28D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.221042790443     IErMin= 4 ErrMin= 1.28D-04
 ErrMax= 1.28D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-05 BMatP= 5.69D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.28D-03
 Coeff-Com: -0.112D-01 0.467D-01 0.121D+00 0.844D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.112D-01 0.467D-01 0.121D+00 0.844D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=1.16D-04 MaxDP=6.04D-03 DE=-3.77D-04 OVMax= 1.13D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.05D-05    CP:  1.15D+00  1.19D+00  1.16D+00  1.15D+00
 E= -402.221054787402     Delta-E=       -0.000011996959 Rises=F Damp=F
 DIIS: error= 6.44D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.221054787402     IErMin= 5 ErrMin= 6.44D-05
 ErrMax= 6.44D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.22D-06 BMatP= 1.27D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.280D-02-0.600D-01-0.346D-01 0.425D+00 0.667D+00
 Coeff:      0.280D-02-0.600D-01-0.346D-01 0.425D+00 0.667D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=4.17D-05 MaxDP=2.01D-03 DE=-1.20D-05 OVMax= 5.73D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.52D-05    CP:  1.15D+00  1.19D+00  1.18D+00  1.24D+00  1.32D+00
 E= -402.221059341939     Delta-E=       -0.000004554537 Rises=F Damp=F
 DIIS: error= 1.63D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.221059341939     IErMin= 6 ErrMin= 1.63D-05
 ErrMax= 1.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.80D-07 BMatP= 5.22D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.236D-02-0.289D-01-0.287D-01 0.782D-01 0.263D+00 0.714D+00
 Coeff:      0.236D-02-0.289D-01-0.287D-01 0.782D-01 0.263D+00 0.714D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=1.55D-05 MaxDP=1.61D-03 DE=-4.55D-06 OVMax= 2.23D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.95D-06    CP:  1.15D+00  1.19D+00  1.18D+00  1.25D+00  1.41D+00
                    CP:  1.26D+00
 E= -402.221059744194     Delta-E=       -0.000000402255 Rises=F Damp=F
 DIIS: error= 4.97D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.221059744194     IErMin= 7 ErrMin= 4.97D-06
 ErrMax= 4.97D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.38D-08 BMatP= 3.80D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.909D-04 0.241D-02-0.967D-03-0.411D-01-0.334D-01 0.143D+00
 Coeff-Com:  0.930D+00
 Coeff:      0.909D-04 0.241D-02-0.967D-03-0.411D-01-0.334D-01 0.143D+00
 Coeff:      0.930D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=8.44D-06 MaxDP=1.09D-03 DE=-4.02D-07 OVMax= 1.28D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.37D-06    CP:  1.15D+00  1.19D+00  1.17D+00  1.25D+00  1.44D+00
                    CP:  1.32D+00  1.20D+00
 E= -402.221059794204     Delta-E=       -0.000000050011 Rises=F Damp=F
 DIIS: error= 1.31D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.221059794204     IErMin= 8 ErrMin= 1.31D-06
 ErrMax= 1.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.98D-09 BMatP= 2.38D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.168D-03 0.267D-02 0.229D-02-0.141D-01-0.271D-01-0.433D-01
 Coeff-Com:  0.134D+00 0.945D+00
 Coeff:     -0.168D-03 0.267D-02 0.229D-02-0.141D-01-0.271D-01-0.433D-01
 Coeff:      0.134D+00 0.945D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=2.22D-06 MaxDP=2.03D-04 DE=-5.00D-08 OVMax= 4.95D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.94D-07    CP:  1.15D+00  1.19D+00  1.17D+00  1.25D+00  1.44D+00
                    CP:  1.34D+00  1.29D+00  1.27D+00
 E= -402.221059799275     Delta-E=       -0.000000005071 Rises=F Damp=F
 DIIS: error= 4.89D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.221059799275     IErMin= 9 ErrMin= 4.89D-07
 ErrMax= 4.89D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.72D-10 BMatP= 1.98D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.460D-04 0.379D-03 0.690D-03 0.764D-03-0.211D-02-0.248D-01
 Coeff-Com: -0.621D-01 0.220D+00 0.867D+00
 Coeff:     -0.460D-04 0.379D-03 0.690D-03 0.764D-03-0.211D-02-0.248D-01
 Coeff:     -0.621D-01 0.220D+00 0.867D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=5.85D-07 MaxDP=5.48D-05 DE=-5.07D-09 OVMax= 1.63D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.02D-07    CP:  1.15D+00  1.19D+00  1.17D+00  1.25D+00  1.44D+00
                    CP:  1.34D+00  1.31D+00  1.38D+00  1.12D+00
 E= -402.221059799850     Delta-E=       -0.000000000575 Rises=F Damp=F
 DIIS: error= 1.34D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.221059799850     IErMin=10 ErrMin= 1.34D-07
 ErrMax= 1.34D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.72D-11 BMatP= 2.72D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.117D-04-0.267D-03-0.144D-03 0.189D-02 0.322D-02 0.613D-03
 Coeff-Com: -0.283D-01-0.776D-01 0.139D+00 0.961D+00
 Coeff:      0.117D-04-0.267D-03-0.144D-03 0.189D-02 0.322D-02 0.613D-03
 Coeff:     -0.283D-01-0.776D-01 0.139D+00 0.961D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=2.52D-07 MaxDP=1.98D-05 DE=-5.75D-10 OVMax= 6.77D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.13D-07    CP:  1.15D+00  1.19D+00  1.17D+00  1.25D+00  1.44D+00
                    CP:  1.34D+00  1.31D+00  1.40D+00  1.24D+00  1.28D+00
 E= -402.221059799936     Delta-E=       -0.000000000086 Rises=F Damp=F
 DIIS: error= 4.69D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -402.221059799936     IErMin=11 ErrMin= 4.69D-08
 ErrMax= 4.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.41D-12 BMatP= 2.72D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.816D-05-0.107D-03-0.113D-03 0.386D-03 0.105D-02 0.270D-02
 Coeff-Com: -0.900D-03-0.410D-01-0.522D-01 0.242D+00 0.848D+00
 Coeff:      0.816D-05-0.107D-03-0.113D-03 0.386D-03 0.105D-02 0.270D-02
 Coeff:     -0.900D-03-0.410D-01-0.522D-01 0.242D+00 0.848D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=6.53D-08 MaxDP=5.91D-06 DE=-8.56D-11 OVMax= 1.76D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.28D-08    CP:  1.15D+00  1.19D+00  1.17D+00  1.25D+00  1.44D+00
                    CP:  1.34D+00  1.31D+00  1.41D+00  1.26D+00  1.36D+00
                    CP:  1.15D+00
 E= -402.221059799943     Delta-E=       -0.000000000007 Rises=F Damp=F
 DIIS: error= 2.43D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -402.221059799943     IErMin=12 ErrMin= 2.43D-08
 ErrMax= 2.43D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.22D-13 BMatP= 3.41D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.154D-06 0.937D-05-0.746D-05-0.137D-03-0.145D-03 0.493D-03
 Coeff-Com:  0.296D-02 0.130D-03-0.285D-01-0.568D-01 0.189D+00 0.893D+00
 Coeff:      0.154D-06 0.937D-05-0.746D-05-0.137D-03-0.145D-03 0.493D-03
 Coeff:      0.296D-02 0.130D-03-0.285D-01-0.568D-01 0.189D+00 0.893D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=1.85D-08 MaxDP=1.34D-06 DE=-7.28D-12 OVMax= 6.95D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.12D-08    CP:  1.15D+00  1.19D+00  1.17D+00  1.25D+00  1.44D+00
                    CP:  1.34D+00  1.31D+00  1.41D+00  1.26D+00  1.39D+00
                    CP:  1.19D+00  1.25D+00
 E= -402.221059799936     Delta-E=        0.000000000007 Rises=F Damp=F
 DIIS: error= 1.34D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -402.221059799943     IErMin=13 ErrMin= 1.34D-08
 ErrMax= 1.34D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.60D-14 BMatP= 4.22D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.110D-05 0.177D-04 0.137D-04-0.941D-04-0.184D-03-0.242D-03
 Coeff-Com:  0.951D-03 0.592D-02 0.112D-03-0.487D-01-0.814D-01 0.237D+00
 Coeff-Com:  0.887D+00
 Coeff:     -0.110D-05 0.177D-04 0.137D-04-0.941D-04-0.184D-03-0.242D-03
 Coeff:      0.951D-03 0.592D-02 0.112D-03-0.487D-01-0.814D-01 0.237D+00
 Coeff:      0.887D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=7.74D-09 MaxDP=5.63D-07 DE= 7.28D-12 OVMax= 2.81D-07

 SCF Done:  E(RM11) =  -402.221059800     A.U. after   13 cycles
            NFock= 13  Conv=0.77D-08     -V/T= 2.0071
 KE= 3.993962368611D+02 PE=-1.754125023249D+03 EE= 5.447526695859D+02
 Leave Link  502 at Thu Aug 12 21:05:31 2021, MaxMem=  5368709120 cpu:            2435.7 elap:             304.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.84825015D+02

 Leave Link  801 at Thu Aug 12 21:05:31 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.86D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.56D-01 4.62D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 1.71D-02 3.27D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 1.68D-03 9.37D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 1.08D-04 2.02D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 3.84D-06 3.25D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 1.22D-07 5.03D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 3.14D-09 7.89D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 7.48D-11 1.18D-06.
      9 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 1.33D-12 1.55D-07.
      5 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 2.38D-14 1.72D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension   113 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.884361D+02
      2  0.110164D+01  0.776212D+02
      3 -0.216430D+01  0.185467D+01  0.749960D+02
 Isotropic polarizability for W=    0.088559       80.35 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.746315D+02 -0.195481D+02  0.472466D+01
      2  -0.404663D+02  0.216914D+02 -0.102005D+02
      3  -0.341652D+02 -0.214331D+01  0.547586D+01
      4  -0.223167D+02  0.442079D+02 -0.192415D+02
      5   0.106865D+02 -0.219306D+02  0.668925D+02
      6  -0.594240D+01  0.982750D+00 -0.913898D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.428613D+00 -0.655412D+00  0.119569D+01
      2   0.551079D+01 -0.720619D+01  0.350540D+02
      3   0.595339D+01 -0.265184D+02  0.797204D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.268911D+01  0.111833D+02  0.699567D+01
      2  -0.596184D+01 -0.132991D+02  0.101058D+03
      3  -0.276859D+01 -0.846741D+02  0.159882D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.289353D+00 -0.561165D+00 -0.125889D+01
      2  -0.561165D+00  0.446933D+00 -0.859471D-01
      3  -0.125889D+01 -0.859471D-01  0.179655D+00
 OR G Eigenvalues:    -1.4615     0.4658     1.3330  Iso=    -0.1124
 Eigenvectors:
   (1)   0.761693   0.250872   0.597401
   (2)   0.034611   0.904932  -0.424146
   (3)  -0.647013   0.343746   0.680597
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1124 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      -48.66 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 9.98D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 6.63D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 3.77D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 1.99D-02 2.91D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 7.42D-04 3.59D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.36D-05 6.37D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 1.63D-07 4.66D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.12D-09 4.67D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 2.45D-11 5.63D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 2.32D-13 4.49D-08.
      2 vectors produced by pass  8 Test12= 2.23D-14 2.78D-09 XBig12= 1.84D-15 3.78D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   242 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 1.07D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 1.07D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.69D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.884361D+02  0.110164D+01 -0.216430D+01
      2   0.110164D+01  0.776212D+02  0.185467D+01
      3  -0.216430D+01  0.185467D+01  0.749960D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.428613D+00 -0.655412D+00  0.119569D+01
      2   0.551079D+01 -0.720619D+01  0.350540D+02
      3   0.595339D+01 -0.265184D+02  0.797204D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.746315D+02 -0.195481D+02  0.472466D+01
      2  -0.404663D+02  0.216914D+02 -0.102005D+02
      3  -0.341652D+02 -0.214331D+01  0.547586D+01
      4  -0.223167D+02  0.442079D+02 -0.192415D+02
      5   0.106865D+02 -0.219306D+02  0.668925D+02
      6  -0.594240D+01  0.982750D+00 -0.913898D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.962532D-01  0.319359D+01 -0.350887D+01  0.471401D+01 -0.370613D+01
      2   0.319359D+01 -0.305306D+01  0.910116D-01 -0.370613D+01 -0.323681D+01
      3  -0.350887D+01  0.910116D-01  0.731480D+00  0.290227D-01 -0.214746D+01
                 6             7             8             9            10 
      1   0.290227D-01 -0.450249D+01  0.374841D+00 -0.676332D+00  0.154767D+01
      2  -0.214746D+01  0.374841D+00 -0.215852D+01  0.251126D+00 -0.270336D+01
      3   0.616946D+00 -0.676332D+00  0.251126D+00  0.785975D+01  0.420902D+01
                11            12            13            14            15 
      1  -0.270336D+01  0.420902D+01 -0.641600D+01  0.306425D+01  0.123929D+00
      2   0.333757D+01  0.264272D+00  0.306425D+01  0.435288D+01  0.297052D+01
      3   0.264272D+00 -0.465673D+00  0.123929D+00  0.297052D+01  0.439334D+00
                16            17            18            19            20 
      1   0.554190D+01  0.145424D+00  0.187453D+00 -0.223417D+01  0.390531D+01
      2   0.145424D+00  0.287896D+01  0.115823D+01  0.390531D+01 -0.558612D+00
      3   0.187453D+00  0.115823D+01 -0.583935D+01 -0.248705D+01  0.161169D+00
                21            22            23            24            25 
      1  -0.248705D+01  0.690968D+01 -0.345100D+00  0.164082D+00 -0.238244D+01
      2   0.161169D+00 -0.345100D+00 -0.993051D+00 -0.126611D+01  0.260922D+00
      3  -0.537603D+00  0.164082D+00 -0.126611D+01  0.125371D+01 -0.846533D+00
                26            27            28            29            30 
      1   0.260922D+00 -0.846533D+00 -0.183419D+01 -0.157909D+01  0.133293D+01
      2  -0.136622D+01  0.105093D+00 -0.157909D+01  0.147634D+00  0.145293D+01
      3   0.105093D+00  0.655008D+01  0.133293D+01  0.145293D+01  0.104776D+00
                31            32            33            34            35 
      1   0.148251D+01  0.829464D+00  0.164222D+01  0.117175D+01  0.183381D+01
      2   0.829464D+00  0.257559D+01  0.165194D+01  0.183381D+01  0.208565D+01
      3   0.164222D+01  0.165194D+01  0.669883D+00  0.546489D+00  0.127078D+00
                36            37            38            39            40 
      1   0.546489D+00  0.386626D+01  0.287454D+01 -0.571950D+00  0.472387D+01
      2   0.127078D+00  0.287454D+01  0.314759D+00 -0.728484D+00 -0.773360D+00
      3  -0.270713D-01 -0.571950D+00 -0.728484D+00  0.667405D+00 -0.155732D+01
                41            42            43            44            45 
      1  -0.773360D+00 -0.155732D+01  0.307086D+00 -0.111387D+01 -0.778567D+00
      2   0.313168D+01  0.858348D+00 -0.111387D+01  0.345871D+00  0.131888D+01
      3   0.858348D+00  0.153028D+01 -0.778567D+00  0.131888D+01  0.266465D+01
                46            47            48            49            50 
      1   0.159006D+01  0.361574D+01 -0.466479D+01  0.387902D+01 -0.337161D+01
      2   0.361574D+01 -0.321292D+01  0.730354D-01 -0.337161D+01 -0.199455D+01
      3  -0.466479D+01  0.730354D-01  0.386749D+00  0.970962D-01 -0.387162D+01
                51            52            53            54            55 
      1   0.970962D-01 -0.369621D+01 -0.124861D+00  0.349004D+00  0.253789D+01
      2  -0.387162D+01 -0.124861D+00 -0.303394D+01 -0.669184D+00 -0.173587D+01
      3   0.249175D+00  0.349004D+00 -0.669184D+00  0.387007D+01  0.120567D+01
                56            57            58            59            60 
      1  -0.173587D+01  0.120567D+01 -0.133684D+01  0.305449D+01 -0.677198D+00
      2   0.391018D+01 -0.744337D+00  0.305449D+01  0.277501D+01  0.121012D+01
      3  -0.744337D+00  0.214581D+01 -0.677198D+00  0.121012D+01 -0.109512D+01
                61            62            63            64            65 
      1   0.144142D+01 -0.957986D+00  0.234447D+01 -0.317716D+01 -0.300417D+01
      2  -0.957986D+00  0.138250D+01 -0.553720D+00 -0.300417D+01 -0.232413D+01
      3   0.234447D+01 -0.553720D+00 -0.362765D+01 -0.191533D+01 -0.127707D+01
                66            67            68            69            70 
      1  -0.191533D+01 -0.517731D+01 -0.294009D+01 -0.111573D+01 -0.251173D+01
      2  -0.127707D+01 -0.294009D+01 -0.907776D+01 -0.274203D+01 -0.115256D+01
      3  -0.105269D+01 -0.111573D+01 -0.274203D+01 -0.258300D+01 -0.184011D+01
                71            72            73            74            75 
      1  -0.115256D+01 -0.184011D+01  0.554048D+00 -0.459959D+00 -0.928764D+00
      2  -0.241854D+01 -0.288997D+01 -0.459959D+00  0.226262D+00 -0.109578D+00
      3  -0.288997D+01 -0.368371D+01 -0.928764D+00 -0.109578D+00  0.279706D+00
                76            77            78            79            80 
      1  -0.110899D+01  0.164374D+00 -0.231702D-01 -0.142122D+01 -0.100036D+00
      2   0.164374D+00  0.525663D+00 -0.111518D+01 -0.100036D+00 -0.139208D+01
      3  -0.231702D-01 -0.111518D+01  0.595396D-02  0.108995D+00  0.500896D+00
                81            82            83            84            85 
      1   0.108995D+00 -0.123185D+01 -0.830206D+00 -0.100459D+01 -0.995916D+00
      2   0.500896D+00 -0.830206D+00 -0.105616D+01 -0.744180D-01 -0.970248D+00
      3  -0.869082D+01 -0.100459D+01 -0.744180D-01 -0.298779D+00 -0.105826D+00
                86            87            88            89            90 
      1  -0.970248D+00 -0.105826D+00 -0.134840D+01 -0.140551D+00 -0.151877D+00
      2  -0.707020D+01 -0.173317D+01 -0.140551D+00 -0.171537D+01 -0.156224D+01
      3  -0.173317D+01 -0.176873D+01 -0.151877D+00 -0.156224D+01 -0.615311D+00
                91            92            93            94            95 
      1  -0.816664D+01 -0.978965D+00  0.235043D+01 -0.355279D+01 -0.138005D+01
      2  -0.978965D+00 -0.132703D+01  0.169103D+00 -0.138005D+01 -0.674416D+00
      3   0.235043D+01  0.169103D+00 -0.167480D+01  0.119097D+01  0.480084D+00
                96            97            98            99           100 
      1   0.119097D+01  0.160171D+01  0.281720D+00 -0.127538D+01 -0.180789D+01
      2   0.480084D+00  0.281720D+00  0.431215D+00 -0.111892D+00  0.249333D+01
      3  -0.801709D+00 -0.127538D+01 -0.111892D+00  0.117728D+01 -0.106209D+01
               101           102           103           104           105 
      1   0.249333D+01 -0.106209D+01  0.224417D+01 -0.269701D+01  0.911003D+00
      2  -0.327028D+01  0.112562D+01 -0.269701D+01  0.497497D+01 -0.145686D+01
      3   0.112562D+01 -0.107574D+01  0.911003D+00 -0.145686D+01  0.124124D+01
               106           107           108           109           110 
      1  -0.169829D+01  0.141686D+01 -0.118965D+01 -0.795049D-01  0.643274D+00
      2   0.141686D+01 -0.248545D+01  0.157241D+01  0.643274D+00 -0.262988D+00
      3  -0.118965D+01  0.157241D+01 -0.141923D+01  0.178829D+00 -0.340302D+00
               111           112           113           114           115 
      1   0.178829D+00  0.480960D+00 -0.210731D+00 -0.358898D+00  0.935625D+00
      2  -0.340302D+00 -0.210731D+00  0.107496D+01  0.799046D+00 -0.490552D+00
      3  -0.742163D+00 -0.358898D+00  0.799046D+00  0.877369D+00 -0.799324D+00
               116           117           118           119           120 
      1  -0.490552D+00 -0.799324D+00  0.922134D+00  0.691786D+00  0.122286D+01
      2   0.200392D+01  0.135880D+01  0.691786D+00  0.133752D+01  0.568440D+00
      3   0.135880D+01  0.524302D+01  0.122286D+01  0.568440D+00  0.961489D+00
               121           122           123           124           125 
      1   0.125640D+01  0.124915D+01  0.831502D+00  0.994504D+00  0.463453D+00
      2   0.124915D+01  0.483495D+01  0.226632D+01  0.463453D+00  0.175151D+01
      3   0.831502D+00  0.226632D+01  0.306732D+01  0.571178D+00  0.167226D+01
               126           127           128           129           130 
      1   0.571178D+00 -0.548640D+01 -0.144485D+01  0.253547D+01 -0.151838D+01
      2   0.167226D+01 -0.144485D+01 -0.107180D+01  0.944527D+00 -0.707323D+00
      3   0.211564D+01  0.253547D+01  0.944527D+00 -0.320162D+01  0.604877D+00
               131           132           133           134           135 
      1  -0.707323D+00  0.604877D+00  0.202533D+01  0.561961D+00 -0.195344D+01
      2  -0.978634D+00  0.132000D+01  0.561961D+00  0.984388D+00 -0.779605D+00
      3   0.132000D+01 -0.112818D+01 -0.195344D+01 -0.779605D+00  0.252688D+01
               136           137           138           139           140 
      1   0.400128D+01 -0.269489D+01  0.249347D+01 -0.294409D+01  0.271140D+01
      2  -0.269489D+01  0.264933D+01 -0.137385D+01  0.271140D+01 -0.363324D+01
      3   0.249347D+01 -0.137385D+01  0.229723D+01 -0.142137D+01  0.240532D+01
               141           142           143           144           145 
      1  -0.142137D+01  0.148715D+01 -0.919841D+00  0.151852D+01  0.152561D+01
      2   0.240532D+01 -0.919841D+00  0.157070D+01 -0.144775D+01  0.131629D+01
      3  -0.231970D+01  0.151852D+01 -0.144775D+01  0.186816D+01  0.508663D+00
               146           147           148           149           150 
      1   0.131629D+01  0.508663D+00  0.270464D+01  0.224736D+01 -0.110467D+00
      2   0.168293D+01  0.111809D+00  0.224736D+01  0.585394D+01  0.646534D+00
      3   0.111809D+00  0.298944D+00 -0.110467D+00  0.646534D+00  0.131646D+01
               151           152           153           154           155 
      1   0.130345D+01  0.369605D+00  0.523163D+00  0.704584D+01 -0.301125D+01
      2   0.369605D+00  0.119134D+01  0.863059D+00 -0.301125D+01  0.228428D+01
      3   0.523163D+00  0.863059D+00 -0.167343D+00  0.991424D+00 -0.362900D+00
               156           157           158           159           160 
      1   0.991424D+00 -0.476572D+01  0.309716D+01 -0.288247D+00  0.272996D+01
      2  -0.362900D+00  0.309716D+01 -0.260309D+01  0.690190D+00 -0.736032D+00
      3   0.102852D+01 -0.288247D+00  0.690190D+00 -0.112551D+01  0.124186D+01
               161           162           163           164           165 
      1  -0.736032D+00  0.124186D+01  0.330768D+00 -0.291244D+00 -0.885343D+00
      2   0.999036D+00 -0.782306D+00 -0.291244D+00  0.246503D+00  0.490178D-01
      3  -0.782306D+00  0.154405D+00 -0.885343D+00  0.490178D-01  0.146947D+00
               166           167           168           169           170 
      1  -0.579230D+00  0.684007D+00  0.635276D-01 -0.197912D+01  0.276860D-01
      2   0.684007D+00  0.162106D+00 -0.965983D+00  0.276860D-01 -0.105498D+01
      3   0.635276D-01 -0.965983D+00 -0.445719D+00  0.212008D+01 -0.131177D+00
               171 
      1   0.212008D+01
      2  -0.131177D+00
      3  -0.995944D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.307415D+01  0.261476D+01  0.227003D+00  0.357776D+01  0.234605D+01
      2  -0.100354D+02  0.294927D+01  0.375480D+00  0.421204D+01 -0.904803D+01
      3  -0.873902D+01  0.621153D+01  0.707150D+00  0.142477D+02  0.109832D+02
                 6             7             8             9            10 
      1  -0.539412D+00  0.616616D+00  0.326771D+01 -0.304762D+00  0.348341D+01
      2   0.142499D+01 -0.967480D+01  0.903092D+00  0.227150D+02  0.797709D+01
      3   0.510448D+01 -0.988123D+00  0.613957D+01 -0.126161D+01  0.384315D+01
                11            12            13            14            15 
      1  -0.280178D+00 -0.375099D-01 -0.735789D+00  0.342558D+01 -0.429584D+01
      2  -0.820459D+00  0.436840D+01 -0.435939D+01  0.389728D+01 -0.684438D-01
      3  -0.459763D+01 -0.144603D+01  0.137757D+01 -0.986873D+01 -0.458013D+01
                16            17            18            19            20 
      1  -0.476333D+00  0.253472D+01 -0.296553D+01 -0.403739D+01  0.349320D+00
      2  -0.248401D+01  0.130085D+01 -0.623470D+01  0.354164D+00  0.103464D+01
      3  -0.634904D+00 -0.382990D+01 -0.271907D+00  0.807006D+00 -0.436014D+01
                21            22            23            24            25 
      1  -0.117899D+01 -0.108398D+01  0.808321D+00  0.200144D+01 -0.157315D+00
      2   0.520349D+00  0.717580D+01 -0.740970D+00  0.157276D+01 -0.688253D+01
      3   0.147824D+01  0.221646D+01  0.347890D+00  0.294340D+01 -0.127471D+01
                26            27            28            29            30 
      1   0.542994D+01 -0.208089D+01  0.103905D+01  0.264469D+00  0.201514D+01
      2  -0.580263D-01 -0.263510D+01 -0.974708D+01 -0.440920D+00 -0.235148D+01
      3   0.137675D+01 -0.220237D+00 -0.624649D+01  0.918262D+00 -0.197266D+01
                31            32            33            34            35 
      1   0.270531D+01 -0.598283D+01  0.573972D+00 -0.188949D+01  0.233639D+01
      2   0.829325D+01 -0.550491D+00 -0.482612D+01 -0.127514D+02 -0.364801D+01
      3   0.548884D+01  0.980007D+01 -0.613052D+00 -0.567861D+01 -0.219862D+01
                36            37            38            39            40 
      1   0.760798D+01  0.104337D+01 -0.131422D+00  0.134212D+01  0.196944D+01
      2   0.400980D+01  0.785612D+00  0.205534D-01  0.225960D+01 -0.705776D+00
      3   0.193508D+01  0.625337D+01 -0.148730D+01 -0.111802D+01  0.450911D+01
                41            42            43            44            45 
      1   0.250105D+01 -0.271111D+01  0.938616D+00  0.351378D+01 -0.143699D+01
      2  -0.352758D+01 -0.286236D+01 -0.992516D-01 -0.287319D+01 -0.732326D+01
      3   0.868739D+01  0.170963D+01  0.244877D+01  0.220796D+01  0.201821D+01
                46            47            48            49            50 
      1   0.351682D+01 -0.613666D+01  0.565512D+00 -0.639169D+01 -0.647181D+01
      2  -0.107355D+02 -0.716312D+01  0.133841D+02 -0.575873D+01  0.770763D+00
      3  -0.635538D+01 -0.319489D+00  0.304831D+01  0.398483D+01  0.522323D+01
                51            52            53            54            55 
      1  -0.115722D+02  0.255541D-01 -0.478995D+01  0.261934D+01 -0.197710D+01
      2  -0.663656D-01  0.615432D+01 -0.562215D+00  0.347399D+01  0.865134D+00
      3   0.499884D+01  0.277944D+01  0.386182D+01  0.492226D+00  0.639914D+01
                56            57            58            59            60 
      1   0.105200D+01 -0.592625D+01  0.106687D+01 -0.509264D+01 -0.333103D+01
      2   0.120279D+01  0.455515D+01 -0.147456D+01  0.810972D-01  0.925444D-01
      3  -0.106721D+02  0.174083D+01  0.287631D+01  0.738140D+01 -0.282272D+01
                61            62            63            64            65 
      1  -0.478731D+01  0.655891D+01  0.907717D+01  0.144426D+01  0.250358D+01
      2  -0.124283D+01  0.339312D+00 -0.493431D+00  0.119264D+01  0.379645D+00
      3   0.310043D+01 -0.204440D+01  0.582257D+01  0.111678D+01 -0.514583D+01
                66            67            68            69            70 
      1  -0.313567D+01  0.206094D+00  0.491340D+01 -0.706181D+01  0.722461D+00
      2   0.551212D+01 -0.818660D+01  0.248636D+01  0.583161D+01  0.245359D+00
      3  -0.658602D+00  0.368876D+01 -0.156713D+02 -0.313737D+01  0.105080D+01
                71            72            73            74            75 
      1   0.335228D+01 -0.298585D+01  0.817984D+00 -0.253177D+00  0.885931D-01
      2   0.585743D+01  0.397594D+01  0.120252D+01 -0.287472D+00 -0.502685D-02
      3  -0.205069D+01 -0.478244D+01  0.102934D+01 -0.422465D+00 -0.721265D+00
                76            77            78            79            80 
      1  -0.112606D-01 -0.539415D+00 -0.103666D+00  0.120506D+00  0.356097D+01
      2  -0.837936D+00  0.462435D+00 -0.950510D-01 -0.368594D+01  0.318212D-01
      3   0.123635D+01  0.143221D+00 -0.505146D+00 -0.272800D+00 -0.403128D+00
                81            82            83            84            85 
      1   0.198078D+01 -0.130748D+01  0.529934D-01 -0.592540D+00 -0.156841D+00
      2   0.825244D+00 -0.200356D+01 -0.387101D+00  0.240340D-01 -0.817872D+00
      3  -0.160837D-01  0.331506D+01  0.132644D+01  0.107812D+01  0.532358D+01
                86            87            88            89            90 
      1   0.646283D-01 -0.365153D+01 -0.226926D+00  0.319971D+00 -0.582954D+00
      2  -0.200678D+01 -0.171329D+01 -0.223038D+01 -0.182775D+01 -0.745184D+00
      3   0.893982D+01  0.241365D+01  0.209367D+01  0.226726D+01  0.215399D+01
                91            92            93            94            95 
      1  -0.175340D+01 -0.126355D+01  0.389203D+00 -0.873035D+00 -0.100274D+01
      2  -0.753096D+00  0.352743D+00  0.394660D+01 -0.919170D+00 -0.470623D+00
      3  -0.460786D+01 -0.452447D+01  0.152946D+01 -0.291119D+01 -0.312588D+01
                96            97            98            99           100 
      1  -0.159731D+00  0.830078D+00  0.505941D+00 -0.462278D+00  0.142562D+01
      2   0.209248D+01  0.870409D+00  0.510079D+00 -0.163471D+01 -0.125677D+01
      3   0.950079D+00  0.161490D+01  0.139593D+01 -0.754204D+00 -0.555996D+01
               101           102           103           104           105 
      1  -0.176460D+01  0.330004D+01 -0.159431D+01  0.148704D+01 -0.332527D+01
      2   0.516459D+00  0.513717D+00  0.765289D+00 -0.548946D+00 -0.384631D+00
      3   0.446088D+01 -0.251699D+01  0.736258D+01 -0.590252D+01  0.274063D+01
               106           107           108           109           110 
      1   0.216204D+01 -0.145012D+01  0.230097D+01 -0.261336D+00  0.919982D+00
      2  -0.153321D+01  0.253423D+00 -0.329128D-01  0.747380D+00  0.872169D-02
      3  -0.444048D+01  0.339130D+01 -0.307643D+01 -0.298660D+00  0.378046D+00
               111           112           113           114           115 
      1   0.206090D+01  0.108881D+01 -0.187019D+01 -0.248812D+01  0.192200D+01
      2  -0.210933D+00 -0.669656D-02 -0.404939D-01  0.359415D+00 -0.251553D+01
      3   0.549282D+00  0.130134D+01 -0.763209D+00 -0.105770D+01  0.264390D+01
               116           117           118           119           120 
      1  -0.145750D+01 -0.141356D+02  0.191585D+01  0.298557D+01  0.124533D+01
      2   0.364160D+00  0.908846D+00  0.284336D+00 -0.437213D+00  0.355783D+00
      3  -0.112604D+01 -0.245432D+01 -0.662589D+00 -0.279005D+01 -0.125136D+01
               121           122           123           124           125 
      1   0.242538D+01  0.130292D+02  0.356838D+01  0.149919D+01  0.574193D+01
      2  -0.233567D+01  0.963069D+00  0.320897D+01 -0.228095D+01  0.116366D+01
      3   0.562567D-01 -0.793158D+01 -0.290756D+01 -0.547768D+00 -0.235053D+01
               126           127           128           129           130 
      1   0.379977D+01 -0.708098D+00 -0.231918D+01 -0.136490D+01 -0.967929D+00
      2   0.175365D+01  0.163959D+02  0.371508D+01 -0.585039D+01  0.391079D+01
      3  -0.247010D+01  0.655707D+01  0.283291D+00 -0.250260D+01  0.317476D+01
               131           132           133           134           135 
      1  -0.595260D+00  0.548661D+00 -0.482731D+00  0.257724D+01  0.475027D+00
      2   0.265954D+01 -0.178063D+01 -0.811040D+01 -0.202143D+01  0.541017D+01
      3   0.112539D+01 -0.182814D+01 -0.231091D+01 -0.612567D+00  0.222577D+01
               136           137           138           139           140 
      1  -0.290166D+01  0.467967D+01  0.344076D+00  0.374966D+01 -0.488395D+01
      2  -0.406444D+01  0.282988D+01  0.108666D+01  0.414179D+01 -0.139822D+01
      3  -0.209536D-01 -0.319677D+01  0.258252D+00  0.341975D+00  0.354729D+01
               141           142           143           144           145 
      1   0.499224D+00 -0.865270D+00  0.301650D+01 -0.779974D+00 -0.106953D+01
      2  -0.162905D+01 -0.278127D+01  0.799501D-01  0.291787D+00  0.245950D+01
      3  -0.219935D+01 -0.598890D+00 -0.193183D+01  0.828796D+00 -0.390872D+01
               146           147           148           149           150 
      1  -0.151466D+01 -0.791604D+00 -0.147799D+01 -0.444802D+01 -0.280662D+01
      2   0.137162D+01  0.204719D+01  0.128878D+01  0.422117D+01  0.460858D+01
      3  -0.535570D+01 -0.302557D+00 -0.332828D+01 -0.189646D+02 -0.235198D+01
               151           152           153           154           155 
      1  -0.406416D+00  0.441401D-01 -0.868688D+00  0.235730D+01 -0.155884D+01
      2   0.899524D+00  0.258571D+01  0.243776D+00  0.770627D+01 -0.368771D+01
      3  -0.412758D+00 -0.389207D+01 -0.225817D+01  0.565124D+01 -0.817029D+01
               156           157           158           159           160 
      1   0.149298D+01 -0.200836D+01  0.173816D+01 -0.237946D+01  0.746637D+00
      2   0.608481D+01 -0.397433D+01  0.437260D+01 -0.470882D+01  0.396763D+01
      3   0.107813D+01 -0.601309D+01  0.743126D+01 -0.208909D+01  0.111277D+01
               161           162           163           164           165 
      1  -0.123384D+00  0.927066D+00  0.464600D-01 -0.200073D+00 -0.434333D-01
      2  -0.263673D+01  0.186936D+01 -0.246036D+01 -0.222629D+00  0.887842D+00
      3  -0.336759D+01  0.190171D+01  0.872317D+00 -0.134508D+01  0.902938D-01
               166           167           168           169           170 
      1  -0.402595D+00 -0.361380D+00 -0.269839D+00  0.263231D+00  0.386938D+01
      2  -0.411026D+00 -0.158219D+01 -0.105659D+01 -0.851010D-01 -0.323756D+00
      3  -0.713455D+00 -0.820643D+00  0.214647D+01  0.315280D+00  0.316678D+01
               171 
      1  -0.125253D+01
      2  -0.252932D+02
      3   0.187144D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.197818D+01  0.184988D+02 -0.197780D+02  0.230766D+02 -0.229460D+02
      2  -0.499633D+01 -0.761377D+01  0.853676D+01 -0.108835D+02  0.585456D+01
      3   0.697451D+01 -0.108850D+02  0.112412D+02 -0.121932D+02  0.170914D+02
      4   0.219062D+02 -0.193027D+02  0.240993D+01 -0.269282D+02 -0.149851D+02
      5  -0.198813D+02 -0.114296D+01  0.467483D+01 -0.199302D+01 -0.922820D+01
      6  -0.822833D+00  0.232710D+01 -0.247781D+00  0.192462D+01  0.401453D+01
                 6             7             8             9            10 
      1   0.771829D+00 -0.237354D+02  0.249335D+01  0.109994D+02 -0.101585D+02
      2   0.479648D+00  0.736521D+01 -0.388937D+00  0.109162D+02  0.115990D+01
      3  -0.125148D+01  0.163702D+02 -0.210441D+01 -0.219156D+02  0.899856D+01
      4  -0.108112D+02  0.474015D+01 -0.127456D+02  0.327923D+01 -0.807751D+01
      5   0.190576D+01  0.241491D+00  0.188438D+01  0.350523D+02  0.132007D+02
      6   0.168248D+01  0.786994D+00  0.151589D+01 -0.564170D+01 -0.521477D+01
                11            12            13            14            15 
      1  -0.578020D+01  0.123858D+02 -0.793799D+01  0.158828D+02  0.402528D+01
      2   0.116651D+01 -0.875744D+01  0.336444D+01 -0.195630D+02 -0.717675D+01
      3   0.461369D+01 -0.362833D+01  0.457355D+01  0.368021D+01  0.315148D+01
      4   0.725078D+01 -0.243191D+01  0.165881D+02  0.654587D+01  0.605783D+01
      5   0.111402D+01 -0.142285D+01  0.325066D+01  0.604407D+01  0.117802D+01
      6   0.321073D-01  0.208525D+00  0.964034D+00 -0.851450D+01  0.233022D+01
                16            17            18            19            20 
      1   0.163976D+02  0.282365D+01  0.489847D+01 -0.140305D+02 -0.265392D+01
      2  -0.795106D+01 -0.384637D+01 -0.820655D+00  0.176499D+02  0.285320D+01
      3  -0.844651D+01  0.102272D+01 -0.407782D+01 -0.361944D+01 -0.199279D+00
      4  -0.262798D+01  0.569286D+01  0.160079D+01  0.570256D+01  0.265178D+01
      5  -0.146066D+01  0.257774D+01 -0.150248D+02  0.368301D+01 -0.610580D+00
      6  -0.494827D+00 -0.271793D+01  0.297251D+01  0.286166D+01 -0.878778D+00
                21            22            23            24            25 
      1   0.147896D+01 -0.104391D+01 -0.276639D-01  0.350975D+01 -0.722702D+01
      2   0.385731D+00 -0.126029D+00 -0.455510D+01 -0.204632D+01  0.194431D+01
      3  -0.186469D+01  0.116994D+01  0.458276D+01 -0.146343D+01  0.528271D+01
      4   0.203493D+01 -0.116088D+02  0.124733D+01 -0.108113D+00 -0.675870D+00
      5   0.499741D+00  0.204631D+01  0.630891D+00  0.633688D+00  0.129559D+01
      6   0.566460D+00 -0.299178D+00  0.167349D+01 -0.410354D+01 -0.159734D+01
                26            27            28            29            30 
      1   0.230329D+01  0.108601D+02  0.531297D+01  0.981548D+01 -0.216782D+01
      2  -0.608997D+01  0.130426D+02 -0.914723D+01 -0.939252D+01 -0.249657D+01
      3   0.378668D+01 -0.239026D+02  0.383426D+01 -0.422962D+00  0.466439D+01
      4  -0.277517D+01 -0.479968D+00 -0.759769D+00 -0.996087D+01 -0.720275D+01
      5  -0.169710D+01  0.196559D+01 -0.412781D+01 -0.777487D+01 -0.901487D+01
      6   0.131033D+01  0.458873D+01 -0.596826D+01 -0.148574D+01 -0.341504D+01
                31            32            33            34            35 
      1   0.273945D+00  0.567832D+01 -0.457727D+00 -0.300481D+01 -0.442822D+01
      2  -0.419506D+01 -0.133581D+02  0.570706D+01  0.691577D-01 -0.206875D+01
      3   0.392112D+01  0.767981D+01 -0.524933D+01  0.293565D+01  0.649697D+01
      4  -0.152838D+02 -0.201567D+02 -0.521683D+01 -0.135071D+02 -0.192518D+01
      5  -0.160046D+02 -0.712086D+01 -0.996029D+01 -0.474464D+01 -0.355868D+01
      6  -0.231857D+01 -0.848886D+01 -0.550371D+01 -0.338755D+00 -0.146007D+00
                36            37            38            39            40 
      1  -0.327498D+01 -0.116646D+02 -0.141170D+02  0.412455D+01 -0.222806D+02
      2  -0.190261D+00  0.845684D+01  0.693193D+01  0.523084D+00  0.119853D+02
      3   0.346524D+01  0.320772D+01  0.718502D+01 -0.464763D+01  0.102953D+02
      4  -0.307083D+01 -0.174755D+02  0.756223D+01  0.519679D+01  0.995538D+01
      5   0.309478D+01  0.503849D+01  0.547240D+01  0.469515D+01  0.114942D+02
      6  -0.685934D+01  0.479181D+01 -0.288435D+00 -0.326883D+01 -0.125067D+01
                41            42            43            44            45 
      1  -0.244428D+01  0.396083D+01  0.294073D+01  0.174166D+01 -0.323673D+01
      2   0.659821D+01 -0.441847D+01 -0.113860D+01 -0.131185D+01 -0.721224D+01
      3  -0.415393D+01  0.457644D+00 -0.180213D+01 -0.429810D+00  0.104490D+02
      4  -0.146928D+02 -0.500075D+01  0.738690D+01 -0.481342D+01 -0.699568D+01
      5  -0.314294D+01 -0.792500D+01  0.885585D+01 -0.650880D+01 -0.145876D+02
      6   0.384092D+01  0.608057D+01 -0.342291D+01  0.519923D+01  0.336693D+01
                46            47            48            49            50 
      1   0.128193D+02  0.848268D+01 -0.112229D+02  0.754635D+01 -0.343139D+01
      2  -0.193628D+01  0.105956D+00  0.409930D+01 -0.137862D+00  0.101343D+02
      3  -0.108830D+02 -0.858864D+01  0.712356D+01 -0.740849D+01 -0.670293D+01
      4   0.671211D+01 -0.155893D+02  0.871656D+01 -0.168205D+02 -0.819676D+00
      5  -0.501361D+01  0.110059D+02 -0.127513D+02  0.984048D+01 -0.200592D+02
      6   0.170556D+02 -0.110855D+02 -0.143705D+01 -0.125425D+02 -0.358419D+01
                51            52            53            54            55 
      1   0.140578D+01 -0.959992D+01 -0.218586D+00 -0.829403D+01  0.124395D+02
      2   0.422486D+01  0.262643D+01  0.442832D+01 -0.599971D+01 -0.119120D+02
      3  -0.563064D+01  0.697349D+01 -0.420974D+01  0.142937D+02 -0.527456D+00
      4  -0.128863D+02  0.673931D+01 -0.891781D+01 -0.164975D+01  0.529396D+01
      5  -0.588339D+00 -0.122360D+02 -0.254967D+01  0.108119D+02 -0.228507D+01
      6  -0.151355D+02 -0.791780D+00 -0.108113D+02 -0.288348D+01  0.464558D+01
                56            57            58            59            60 
      1  -0.957252D+01  0.466144D+00 -0.802111D+01 -0.121130D+02 -0.359917D+01
      2   0.159209D+02 -0.303884D+01  0.148012D+02  0.210208D+02  0.599459D+01
      3  -0.634835D+01  0.257270D+01 -0.678014D+01 -0.890782D+01 -0.239542D+01
      4  -0.488599D+01  0.338832D+01  0.285181D+01  0.144636D+02 -0.361930D+01
      5   0.220994D+01  0.223530D+01  0.395426D+00 -0.297309D+01  0.140531D+01
      6  -0.570087D+01  0.895675D+01 -0.543572D+01  0.513406D+01  0.203250D+01
                61            62            63            64            65 
      1   0.308518D+01 -0.143169D+01  0.150547D+01  0.164522D+02  0.672987D+01
      2  -0.349986D+01  0.654993D+01 -0.419159D+01 -0.572097D+01  0.111871D+01
      3   0.414680D+00 -0.511824D+01  0.268612D+01 -0.107313D+02 -0.784858D+01
      4   0.416695D+01 -0.275826D+01  0.890120D+01  0.179976D+02  0.199887D+02
      5   0.356829D+01  0.330220D+01 -0.124977D+01  0.130268D+02  0.870029D+01
      6   0.103045D+02 -0.534644D+00 -0.127902D+02  0.578788D+01  0.414734D+01
                66            67            68            69            70 
      1   0.404420D+01  0.808979D+01 -0.133113D+02 -0.445838D+01  0.550857D+01
      2  -0.337931D+01  0.129202D+01  0.297941D+02  0.199706D+01 -0.327093D+01
      3  -0.664890D+00 -0.938181D+01 -0.164829D+02  0.246132D+01 -0.223764D+01
      4   0.771358D+01  0.255629D+02  0.399957D+02  0.109346D+02  0.830813D+01
      5   0.144834D+02  0.106188D+02  0.136944D+02  0.145813D+02  0.150676D+02
      6   0.540451D+01  0.645285D+01  0.142216D+02  0.145363D+02  0.629521D+01
                71            72            73            74            75 
      1  -0.304535D+01 -0.492388D+01  0.141131D+01 -0.111517D+00 -0.427921D+00
      2   0.187162D+01 -0.281884D+01 -0.500831D+01  0.392609D+00  0.373924D+00
      3   0.117372D+01  0.774272D+01  0.359700D+01 -0.281092D+00  0.539977D-01
      4   0.854376D+01  0.123718D+02 -0.642752D+00  0.131303D+01 -0.117352D+01
      5   0.131876D+02  0.167662D+02 -0.130277D+01 -0.499030D+00  0.619831D+01
      6   0.135453D+02  0.111672D+02 -0.124400D+01  0.122546D+00  0.237207D+00
                76            77            78            79            80 
      1   0.798570D+00 -0.397516D+01  0.424302D+00  0.115439D+01  0.274698D+01
      2   0.533586D+00  0.455187D+00 -0.131116D+01  0.539053D+00 -0.124096D+01
      3  -0.133216D+01  0.351997D+01  0.886853D+00 -0.169344D+01 -0.150602D+01
      4   0.275335D+01 -0.244318D+00 -0.133085D+00 -0.233229D-01  0.624960D+00
      5   0.753744D-01 -0.528377D+00 -0.416806D+00  0.541560D+01  0.501630D+00
      6   0.133416D+00 -0.121710D+01  0.694783D+01  0.744230D-01  0.531149D+01
                81            82            83            84            85 
      1  -0.203050D+02 -0.613109D+00 -0.274090D+01 -0.232864D+01 -0.424749D+01
      2  -0.171311D+02  0.375734D+01  0.334436D+01  0.203937D+01  0.434990D+01
      3   0.374361D+02 -0.314423D+01 -0.603451D+00  0.289265D+00 -0.102416D+00
      4  -0.351690D+00  0.176260D+00  0.355415D+01  0.113715D+01  0.226313D+01
      5  -0.258853D+00 -0.149222D+01  0.745047D+00  0.124814D+01  0.871283D+00
      6  -0.708386D+01  0.212999D+01  0.110826D+01  0.798994D+00  0.854250D+00
                86            87            88            89            90 
      1  -0.182781D+02 -0.301966D+01 -0.372221D+01 -0.431858D+01 -0.526559D+01
      2   0.294306D+02  0.617886D+01  0.226649D+01  0.474771D+01  0.331016D+01
      3  -0.111525D+02 -0.315920D+01  0.145573D+01 -0.429126D+00  0.195543D+01
      4  -0.113095D+02 -0.307827D+01  0.384429D+00 -0.303684D+01 -0.227501D+01
      5  -0.314841D+01 -0.382396D+01  0.230903D+01 -0.266943D+01 -0.525466D+00
      6   0.921697D+01  0.675735D+01  0.132248D+01  0.855190D+01  0.482699D+01
                91            92            93            94            95 
      1   0.441593D+02  0.571672D+01 -0.109838D+02  0.170706D+02  0.591324D+01
      2  -0.251789D+02 -0.359602D+01  0.746317D+01 -0.949967D+01 -0.274205D+01
      3  -0.189804D+02 -0.212070D+01  0.352067D+01 -0.757098D+01 -0.317120D+01
      4   0.489365D+01  0.588812D+01 -0.122715D+01  0.907555D+01  0.436750D+01
      5  -0.167403D+02 -0.170259D+01  0.973941D+01 -0.774064D+01 -0.342303D+01
      6  -0.267122D+01 -0.984342D+00  0.100883D+01 -0.327448D+01 -0.185997D+01
                96            97            98            99           100 
      1  -0.492709D+01 -0.505147D+01 -0.505240D+00  0.511026D+01 -0.272014D+01
      2   0.330686D+01  0.448108D+01  0.667863D+00 -0.471173D+01  0.843693D+01
      3   0.162023D+01  0.570399D+00 -0.162623D+00 -0.398526D+00 -0.571679D+01
      4  -0.298384D+01 -0.918766D+00 -0.160822D+01  0.816769D+00 -0.885783D+01
      5   0.467815D+01  0.946138D+01  0.131739D+01 -0.637795D+01  0.302370D+01
      6   0.202277D+01  0.775889D+00  0.124865D+01 -0.873634D+00 -0.610307D+01
               101           102           103           104           105 
      1   0.789979D+01 -0.243033D+01  0.655906D+01 -0.131008D+02  0.401407D+01
      2  -0.152212D+02  0.404211D+01 -0.121430D+02  0.241413D+02 -0.669294D+01
      3   0.732139D+01 -0.161178D+01  0.558391D+01 -0.110406D+02  0.267887D+01
      4   0.134450D+02 -0.503155D+01  0.117048D+02 -0.126450D+02  0.436131D+01
      5  -0.302603D+01  0.325559D+01 -0.167405D+01  0.285817D+01 -0.151788D+01
      6   0.786581D+01 -0.630066D+01  0.606629D+01 -0.998615D+01  0.721940D+01
               106           107           108           109           110 
      1  -0.393843D+01  0.610812D+01 -0.525497D+01 -0.163814D+01  0.139147D+01
      2   0.504962D+01 -0.852684D+01  0.466086D+01  0.203881D+01 -0.158468D+01
      3  -0.111119D+01  0.241872D+01  0.594107D+00 -0.400672D+00  0.193204D+00
      4  -0.622382D+01  0.599634D+01 -0.513096D+01  0.604844D+00  0.336050D+01
      5   0.328826D+01 -0.258069D+01  0.255593D+01 -0.120313D+01 -0.125738D+00
      6  -0.651244D+01  0.100851D+02 -0.728567D+01  0.463783D+00 -0.230993D+01
               111           112           113           114           115 
      1   0.174691D+01  0.108566D+01 -0.335285D+01 -0.254104D+01  0.110279D+01
      2  -0.987656D+00 -0.106319D+01  0.451700D+01  0.280938D+01 -0.130681D+01
      3  -0.759251D+00 -0.224716D-01 -0.116416D+01 -0.268332D+00  0.204025D+00
      4   0.611355D+00  0.307967D+01 -0.826771D+00 -0.129216D+01  0.333932D+01
      5   0.170825D+01  0.138012D+00 -0.408354D+00 -0.265507D+00  0.126051D+01
      6  -0.315663D+01 -0.167194D+01  0.308471D+01  0.630509D+01 -0.373998D+01
               116           117           118           119           120 
      1  -0.561197D+01 -0.757086D+01  0.223342D+01  0.204515D+01  0.194912D+01
      2   0.717803D+01  0.124156D+01 -0.335500D+01 -0.289691D+01 -0.376008D+01
      3  -0.156605D+01  0.632930D+01  0.112158D+01  0.851764D+00  0.181096D+01
      4  -0.178637D+01 -0.348113D+01  0.349683D+01  0.687329D+01  0.152309D+01
      5  -0.103106D+01 -0.102257D+01  0.636556D+01  0.405586D+01  0.815496D+01
      6   0.725392D+01  0.201227D+02  0.196321D+01  0.540249D+01  0.243249D+01
               121           122           123           124           125 
      1   0.339851D+01 -0.309389D+01 -0.516627D+01  0.122016D+01 -0.314779D+01
      2  -0.424520D+01 -0.149437D+01 -0.708834D+01 -0.281175D+01 -0.451635D+01
      3   0.846691D+00  0.458826D+01  0.122546D+02  0.159159D+01  0.766414D+01
      4   0.658323D+01  0.127927D+02  0.733280D+01  0.961714D+00  0.494590D+01
      5   0.697953D+01  0.110337D+02  0.109574D+02  0.638585D+01  0.627539D+01
      6   0.564423D+01  0.179062D+02  0.112525D+02  0.245073D+01  0.102827D+02
               126           127           128           129           130 
      1  -0.477985D+01 -0.100084D+02 -0.600755D+01  0.129012D+02 -0.505699D+01
      2  -0.546094D+01  0.808735D+00  0.270193D+01  0.202068D+01  0.274120D+01
      3   0.102408D+02  0.919963D+01  0.330562D+01 -0.149219D+02  0.231579D+01
      4   0.475549D+01  0.605796D+01  0.393670D+01 -0.339599D+01  0.472006D+01
      5   0.786532D+01 -0.137434D+02 -0.408053D+01  0.648893D+01 -0.439839D+01
      6   0.762860D+01 -0.791332D+01 -0.588645D+01  0.741192D+01 -0.385932D+01
               131           132           133           134           135 
      1  -0.514427D+01  0.469015D+01  0.912542D+01  0.410756D+01 -0.110775D+02
      2   0.253483D+01 -0.131596D+01  0.146161D+01 -0.943934D+00 -0.362530D+01
      3   0.260944D+01 -0.337418D+01 -0.105870D+02 -0.316362D+01  0.147028D+02
      4   0.140593D+01  0.571515D+00 -0.256311D+01  0.101107D-01  0.226215D+01
      5   0.403588D-01  0.106577D+01  0.812520D+01  0.161685D+01 -0.515812D+01
      6  -0.495857D+01  0.748914D+01  0.494444D+01  0.640136D+01 -0.629154D+01
               136           137           138           139           140 
      1   0.121006D+02 -0.473786D+01  0.234935D+01 -0.514308D+01 -0.223926D+01
      2  -0.707440D+01 -0.486309D-01 -0.554128D+01 -0.154513D+00  0.650045D+01
      3  -0.502618D+01  0.478649D+01  0.319193D+01  0.529759D+01 -0.426119D+01
      4  -0.168005D+02  0.153483D+02 -0.886106D+01  0.161754D+02 -0.175818D+02
      5   0.194385D+02 -0.123428D+02  0.163103D+02 -0.132511D+02  0.139799D+02
      6  -0.118188D+02  0.116519D+02 -0.867357D+01  0.113619D+02 -0.160349D+02
               141           142           143           144           145 
      1   0.319209D+01  0.140597D+01  0.231289D+01 -0.182379D+01  0.103152D+02
      2   0.428670D+00 -0.410306D+01  0.877011D+00 -0.400595D+01 -0.188773D+01
      3  -0.362076D+01  0.269709D+01 -0.318990D+01  0.582974D+01 -0.842744D+01
      4   0.101228D+02 -0.547842D+01  0.631503D+01 -0.740471D+01  0.825191D+01
      5  -0.112216D+02  0.122716D+02 -0.805480D+01  0.112124D+02  0.207656D+01
      6   0.137524D+02 -0.663145D+01  0.103072D+02 -0.919931D+01 -0.639489D+00
               146           147           148           149           150 
      1   0.720570D+01  0.317382D+01  0.150360D+02  0.907638D+01  0.248400D+00
      2  -0.166364D+01 -0.106208D+01 -0.527310D+01  0.539022D+01  0.165449D+01
      3  -0.554206D+01 -0.211174D+01 -0.976290D+01 -0.144666D+02 -0.190289D+01
      4   0.141654D+02  0.130671D+01  0.173328D+02  0.330444D+02  0.378348D+01
      5   0.404875D+00  0.241184D+01 -0.156454D+01  0.349556D+01  0.815783D+01
      6  -0.175137D+01  0.382093D+00 -0.143329D+01 -0.469731D+01  0.207471D+01
               151           152           153           154           155 
      1   0.778848D+01  0.164592D+01 -0.318283D-01  0.515119D+02 -0.187264D+02
      2  -0.293432D+01  0.494111D+00 -0.138481D+01 -0.213469D+02  0.593198D+01
      3  -0.485415D+01 -0.214003D+01  0.141664D+01 -0.301649D+02  0.127945D+02
      4   0.255566D+01  0.662988D+01  0.451194D+01 -0.256233D+02  0.190611D+02
      5   0.356610D+01  0.509545D+01 -0.299748D+00  0.241838D+01 -0.804910D+00
      6   0.936792D+00  0.237270D+01  0.123721D+01  0.187966D+01 -0.207029D+01
               156           157           158           159           160 
      1   0.705844D+01 -0.271278D+02  0.146799D+02 -0.220878D+01  0.158756D+02
      2  -0.244952D+01  0.895017D+01  0.559533D-01 -0.509777D+00 -0.643308D+01
      3  -0.460892D+01  0.181776D+02 -0.147358D+02  0.271856D+01 -0.944247D+01
      4  -0.307297D+01  0.251174D+02 -0.201370D+02  0.447788D+01 -0.703460D+01
      5   0.818223D+01  0.184150D+00  0.257290D+01 -0.723611D+01  0.867353D+01
      6  -0.124004D+01 -0.195155D+01  0.114444D+01  0.234815D+01 -0.171826D+01
               161           162           163           164           165 
      1  -0.398065D+01  0.498618D+01  0.197063D+01 -0.186892D+01 -0.522483D+01
      2   0.574456D+00 -0.396648D+01 -0.370175D+01  0.814871D+00  0.343151D+01
      3   0.340620D+01 -0.101970D+01  0.173112D+01  0.105405D+01  0.179332D+01
      4   0.708421D+01 -0.560795D+01 -0.175514D+01  0.296104D+01  0.213156D+00
      5  -0.499904D+01  0.230493D+01 -0.464637D+01  0.256463D+00  0.789871D+01
      6   0.177748D+01 -0.933016D+00  0.816563D+00 -0.215847D+00  0.331828D+00
               166           167           168           169           170 
      1  -0.281070D+01  0.479708D+00 -0.110080D+01 -0.788265D+01 -0.831768D+00
      2   0.117207D+01 -0.122001D+01  0.251142D+00  0.908940D+01  0.308449D+00
      3   0.163863D+01  0.740306D+00  0.849657D+00 -0.120675D+01  0.523320D+00
      4   0.531403D+01  0.637211D+00 -0.467669D+01  0.470418D+00 -0.547624D+01
      5   0.732198D+00 -0.431743D+01 -0.160775D+01  0.170915D+02 -0.100769D+01
      6  -0.152869D+01  0.959280D+00  0.690734D+01 -0.154207D+01  0.666794D+01
               171 
      1  -0.125182D+02
      2  -0.216491D+02
      3   0.341673D+02
      4  -0.205167D+01
      5  -0.492889D+02
      6   0.578560D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:54:52 2021, MaxMem=  5368709120 cpu:           23675.5 elap:            2960.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.53301 -19.47481 -14.61199 -10.58090 -10.48428
 Alpha  occ. eigenvalues --  -10.44709 -10.42908 -10.42078  -1.26354  -1.16237
 Alpha  occ. eigenvalues --   -1.04617  -0.93854  -0.84592  -0.82449  -0.75894
 Alpha  occ. eigenvalues --   -0.69128  -0.64146  -0.63626  -0.61923  -0.58669
 Alpha  occ. eigenvalues --   -0.55928  -0.55157  -0.53289  -0.52756  -0.49557
 Alpha  occ. eigenvalues --   -0.48518  -0.45867  -0.44224  -0.43638  -0.43263
 Alpha  occ. eigenvalues --   -0.42523  -0.35591
 Alpha virt. eigenvalues --   -0.01391  -0.00208  -0.00097   0.00380   0.01610
 Alpha virt. eigenvalues --    0.02060   0.02277   0.02948   0.03447   0.04550
 Alpha virt. eigenvalues --    0.05519   0.06225   0.07166   0.07951   0.08585
 Alpha virt. eigenvalues --    0.09086   0.09699   0.10720   0.11206   0.11905
 Alpha virt. eigenvalues --    0.12597   0.12630   0.13222   0.13508   0.14483
 Alpha virt. eigenvalues --    0.14896   0.15156   0.16072   0.16201   0.16387
 Alpha virt. eigenvalues --    0.17818   0.18379   0.19093   0.20456   0.21248
 Alpha virt. eigenvalues --    0.21918   0.22606   0.23401   0.23883   0.26434
 Alpha virt. eigenvalues --    0.26551   0.27462   0.28313   0.28627   0.29735
 Alpha virt. eigenvalues --    0.30280   0.30712   0.30903   0.31363   0.32117
 Alpha virt. eigenvalues --    0.32633   0.33296   0.34199   0.35052   0.37057
 Alpha virt. eigenvalues --    0.37785   0.38058   0.38876   0.39276   0.40609
 Alpha virt. eigenvalues --    0.40840   0.41001   0.42165   0.42915   0.43302
 Alpha virt. eigenvalues --    0.43628   0.45037   0.45469   0.46136   0.46552
 Alpha virt. eigenvalues --    0.47437   0.47954   0.49081   0.50536   0.51270
 Alpha virt. eigenvalues --    0.51389   0.51847   0.52318   0.52580   0.53819
 Alpha virt. eigenvalues --    0.54322   0.54562   0.55191   0.56127   0.57809
 Alpha virt. eigenvalues --    0.58562   0.58854   0.60166   0.60911   0.62584
 Alpha virt. eigenvalues --    0.63351   0.64275   0.65247   0.65715   0.66313
 Alpha virt. eigenvalues --    0.66989   0.67603   0.68119   0.68659   0.69883
 Alpha virt. eigenvalues --    0.70828   0.71469   0.71896   0.73509   0.74559
 Alpha virt. eigenvalues --    0.75185   0.76246   0.77421   0.77709   0.79982
 Alpha virt. eigenvalues --    0.81384   0.81757   0.81930   0.83930   0.85088
 Alpha virt. eigenvalues --    0.85579   0.86693   0.87436   0.88728   0.90303
 Alpha virt. eigenvalues --    0.92019   0.92958   0.93840   0.95535   0.97833
 Alpha virt. eigenvalues --    0.99278   0.99865   1.00809   1.01640   1.02608
 Alpha virt. eigenvalues --    1.04704   1.05608   1.08103   1.09237   1.10448
 Alpha virt. eigenvalues --    1.12771   1.14511   1.15743   1.16443   1.19093
 Alpha virt. eigenvalues --    1.19714   1.21763   1.23274   1.23643   1.26051
 Alpha virt. eigenvalues --    1.27194   1.28891   1.31371   1.33050   1.34812
 Alpha virt. eigenvalues --    1.36479   1.38230   1.41923   1.44007   1.46115
 Alpha virt. eigenvalues --    1.47169   1.49752   1.52072   1.53339   1.55337
 Alpha virt. eigenvalues --    1.57840   1.61327   1.62188   1.63626   1.64891
 Alpha virt. eigenvalues --    1.67948   1.69288   1.71834   1.73461   1.76255
 Alpha virt. eigenvalues --    1.76708   1.78041   1.82176   1.83493   1.83964
 Alpha virt. eigenvalues --    1.85954   1.86746   1.88116   1.89666   1.90789
 Alpha virt. eigenvalues --    1.93950   1.95402   1.96442   1.97201   1.98792
 Alpha virt. eigenvalues --    2.00272   2.01601   2.02520   2.04990   2.05521
 Alpha virt. eigenvalues --    2.07070   2.09496   2.10156   2.12411   2.15115
 Alpha virt. eigenvalues --    2.15596   2.18394   2.20046   2.21496   2.23266
 Alpha virt. eigenvalues --    2.24956   2.26785   2.28060   2.29300   2.29877
 Alpha virt. eigenvalues --    2.31894   2.34454   2.35555   2.37568   2.38632
 Alpha virt. eigenvalues --    2.40988   2.42538   2.45404   2.46552   2.50729
 Alpha virt. eigenvalues --    2.53721   2.56306   2.57620   2.59850   2.61158
 Alpha virt. eigenvalues --    2.62573   2.65286   2.69047   2.71957   2.74075
 Alpha virt. eigenvalues --    2.76147   2.79012   2.81067   2.85880   2.87275
 Alpha virt. eigenvalues --    2.91697   2.95399   2.97382   2.99463   3.07170
 Alpha virt. eigenvalues --    3.13818   3.15723   3.33364   3.41965   3.42782
 Alpha virt. eigenvalues --    3.43955   3.46637   3.49334   3.50556   3.51070
 Alpha virt. eigenvalues --    3.53107   3.59177   3.68999   3.76520   3.91839
 Alpha virt. eigenvalues --    4.05215
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.219083  -0.367506   0.078570  -0.111975  -0.006925  -0.174608
     2  C   -0.367506  10.529156  -1.582892   0.123919   0.077527  -0.583701
     3  C    0.078570  -1.582892  11.189161  -1.783425  -0.395436  -0.566456
     4  C   -0.111975   0.123919  -1.783425   7.212664   0.271262  -0.055376
     5  O   -0.006925   0.077527  -0.395436   0.271262   7.945694   0.046428
     6  C   -0.174608  -0.583701  -0.566456  -0.055376   0.046428   5.003683
     7  N   -0.047926  -0.505674  -0.172140   0.077146   0.056404   0.239188
     8  O   -0.010583   0.087158  -0.141253   0.649202  -0.018431   0.005811
     9  H   -0.002267   0.351592  -1.363963  -0.194140   0.048255   0.143225
    10  H    0.033999  -2.118172   0.232286  -0.005956   0.002015   0.345552
    11  H    0.004167  -0.034263   0.188063  -0.189239   0.291905  -0.006927
    12  H   -0.036683   0.132514   0.117573  -0.013558  -0.008595  -0.044781
    13  H    0.036911  -0.012314  -0.203592  -0.065675   0.011256   0.009768
    14  H   -0.093814  -0.252372   0.086207  -0.004592   0.012609   0.319382
    15  H   -0.105207   0.205800  -0.158951  -0.052086  -0.000945   0.197753
    16  H    0.130512   0.068072  -0.017275   0.045688  -0.003693   0.085405
    17  H    0.440327  -0.253358  -0.032192   0.029568  -0.002822  -0.065741
    18  H    0.092370   0.130070   0.135420  -0.042963   0.000310  -0.006913
    19  H   -0.022542   0.347499  -0.144017   0.045871   0.000382   0.006574
               7          8          9         10         11         12
     1  C   -0.047926  -0.010583  -0.002267   0.033999   0.004167  -0.036683
     2  C   -0.505674   0.087158   0.351592  -2.118172  -0.034263   0.132514
     3  C   -0.172140  -0.141253  -1.363963   0.232286   0.188063   0.117573
     4  C    0.077146   0.649202  -0.194140  -0.005956  -0.189239  -0.013558
     5  O    0.056404  -0.018431   0.048255   0.002015   0.291905  -0.008595
     6  C    0.239188   0.005811   0.143225   0.345552  -0.006927  -0.044781
     7  N    6.313280   0.006167   0.206644   0.122545  -0.017112   0.100750
     8  O    0.006167   7.702723   0.026038  -0.022057  -0.027424   0.001073
     9  H    0.206644   0.026038   2.211595   0.008045   0.000269  -0.086586
    10  H    0.122545  -0.022057   0.008045   3.035828   0.000755  -0.001135
    11  H   -0.017112  -0.027424   0.000269   0.000755   0.590557   0.001726
    12  H    0.100750   0.001073  -0.086586  -0.001135   0.001726   1.027510
    13  H    0.366738   0.000618   0.067691   0.000073  -0.005052  -0.163902
    14  H   -0.034446  -0.001715  -0.000245   0.128010  -0.000297  -0.003228
    15  H    0.054825   0.014361   0.017279  -0.024929  -0.002840  -0.001508
    16  H    0.000135  -0.003153   0.008074  -0.092624   0.001685   0.000151
    17  H   -0.039419  -0.003707   0.013391   0.134600   0.001224  -0.001289
    18  H   -0.016674   0.001850   0.016968  -0.085643  -0.000568   0.002178
    19  H    0.074549   0.000231  -0.054530  -0.088162   0.000471  -0.001961
              13         14         15         16         17         18
     1  C    0.036911  -0.093814  -0.105207   0.130512   0.440327   0.092370
     2  C   -0.012314  -0.252372   0.205800   0.068072  -0.253358   0.130070
     3  C   -0.203592   0.086207  -0.158951  -0.017275  -0.032192   0.135420
     4  C   -0.065675  -0.004592  -0.052086   0.045688   0.029568  -0.042963
     5  O    0.011256   0.012609  -0.000945  -0.003693  -0.002822   0.000310
     6  C    0.009768   0.319382   0.197753   0.085405  -0.065741  -0.006913
     7  N    0.366738  -0.034446   0.054825   0.000135  -0.039419  -0.016674
     8  O    0.000618  -0.001715   0.014361  -0.003153  -0.003707   0.001850
     9  H    0.067691  -0.000245   0.017279   0.008074   0.013391   0.016968
    10  H    0.000073   0.128010  -0.024929  -0.092624   0.134600  -0.085643
    11  H   -0.005052  -0.000297  -0.002840   0.001685   0.001224  -0.000568
    12  H   -0.163902  -0.003228  -0.001508   0.000151  -0.001289   0.002178
    13  H    0.925077   0.008508   0.004979  -0.002366   0.002195  -0.003944
    14  H    0.008508   1.922360  -0.342649  -0.487201  -0.014936  -0.015393
    15  H    0.004979  -0.342649   1.916244  -0.485066   0.003862   0.015530
    16  H   -0.002366  -0.487201  -0.485066   1.955130  -0.004532  -0.026658
    17  H    0.002195  -0.014936   0.003862  -0.004532   1.696319  -0.410573
    18  H   -0.003944  -0.015393   0.015530  -0.026658  -0.410573   1.756609
    19  H    0.002369  -0.001688  -0.016434   0.028050  -0.346965  -0.411313
              19
     1  C   -0.022542
     2  C    0.347499
     3  C   -0.144017
     4  C    0.045871
     5  O    0.000382
     6  C    0.006574
     7  N    0.074549
     8  O    0.000231
     9  H   -0.054530
    10  H   -0.088162
    11  H    0.000471
    12  H   -0.001961
    13  H    0.002369
    14  H   -0.001688
    15  H   -0.016434
    16  H    0.028050
    17  H   -0.346965
    18  H   -0.411313
    19  H    1.742760
 Mulliken charges:
               1
     1  C    0.944095
     2  C   -0.343055
     3  C    0.534313
     4  C    0.063662
     5  O   -0.327202
     6  C    1.101735
     7  N    0.215020
     8  O   -0.266909
     9  H   -0.417332
    10  H   -0.605030
    11  H    0.202900
    12  H   -0.020248
    13  H    0.020661
    14  H   -0.224500
    15  H   -0.240018
    16  H   -0.200333
    17  H   -0.145952
    18  H   -0.130665
    19  H   -0.161144
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.506335
     2  C   -0.948086
     3  C    0.116981
     4  C    0.063662
     5  O   -0.124301
     6  C    0.436884
     7  N    0.215433
     8  O   -0.266909
 Electronic spatial extent (au):  <R**2>=           1052.0478
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.4755    Y=              1.0976    Z=              1.0587  Tot=              1.5974
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.7632   YY=            -53.3109   ZZ=            -48.9274
   XY=             -5.5724   XZ=             -2.6064   YZ=             -2.7372
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.2373   YY=             -3.3104   ZZ=              1.0731
   XY=             -5.5724   XZ=             -2.6064   YZ=             -2.7372
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -35.1326  YYY=              8.2336  ZZZ=             -1.7976  XYY=             -3.1614
  XXY=             -0.1008  XXZ=             11.6836  XZZ=             -4.9761  YZZ=              4.1596
  YYZ=              3.8419  XYZ=              7.2659
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -721.2307 YYYY=           -305.7433 ZZZZ=           -259.8996 XXXY=             -6.9831
 XXXZ=            -32.1703 YYYX=            -25.7786 YYYZ=             -1.2482 ZZZX=             -7.0293
 ZZZY=              1.5769 XXYY=           -201.5588 XXZZ=           -173.9717 YYZZ=            -92.5137
 XXYZ=            -12.1086 YYXZ=              0.6667 ZZXY=             -2.4570
 N-N= 4.077550570018D+02 E-N=-1.754125021805D+03  KE= 3.993962368611D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:54:52 2021, MaxMem=  5368709120 cpu:               2.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.15179232D-01 4.45633264D-01 4.10580196D-01
 Polarizability= 8.21626208D+01 1.97498350D-01 7.14152288D+01
                -2.30729257D+00 1.72901418D+00 6.96613793D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.0856    1.0821        0.5551    0.5508
 2     -1.0856   -1.0821       -0.9348   -0.9273       -5.4115   -5.4075
 3     -0.5551   -0.5508        6.7163    6.7200        0.9320    0.9273
 4      0.9348    0.9273        0.0000    0.0000       -0.5616   -0.5508
 5     -1.3049   -1.3126        0.5616    0.5508        1.0851    1.0821
 6     -0.9320   -0.9273       -1.0851   -1.0821       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.2464   -3.2464        1.6525    1.6525
 2      2.7820    2.7820        0.0000    0.0000        1.6525    1.6525
 3      2.7820    2.7820       -3.2464   -3.2464        0.0000    0.0000
 4     -3.2464   -3.2464       -2.7820   -2.7820      -16.2225  -16.2225
 5     -1.6525   -1.6525       20.1601   20.1601        2.7820    2.7820
 6     -3.9377   -3.9377        1.6525    1.6525        3.2464    3.2464
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1335    0.0000       -4.5034   -4.3286       -1.9116   -2.2033
 2      4.7645    4.3286        3.5332    3.7093       21.7989   21.6300
 3      2.4481    2.2033      -26.6903  -26.8802       -3.6948   -3.7093
 4     -3.6238   -3.7093       -0.1821    0.0000        1.9286    2.2033
 5      5.1935    5.2502       -2.1749   -2.2033       -4.5297   -4.3286
 6      3.6394    3.7093        4.3620    4.3286        0.0107    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0092    0.0000        7.4349    7.1491       -5.3852   -4.8554
 2     -7.2076   -7.1491        8.6953    8.5356       13.2468   13.5552
 3      4.5544    4.8554       17.1229   16.8013       -8.4954   -8.5356
 4     -8.8286   -8.5356       -0.1461    0.0000        4.8287    4.8554
 5    -30.1930  -30.3565       -4.6907   -4.8554        7.5925    7.1491
 6      8.8259    8.5356       -7.3516   -7.1491        0.5837    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -6.3418   -6.3011       12.8033   13.1777       10.1760    9.7038
 2    -23.0882  -22.6846       17.5665   17.4048        9.0986    9.7038
 3    -23.0202  -22.6846       12.9348   13.1777       14.9131   14.9252
 4     -4.6457   -4.2271       16.6556   16.3835       20.6007   21.2200
 5      4.7484    5.2214       38.1308   37.3547      -16.7674  -16.3835
 6    -58.1246  -58.5747       -5.0245   -5.2214        5.0966    4.2271
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.6631   -0.0003    0.0002    0.0008    2.8052    3.8533
 Low frequencies ---   39.2409   76.5673  177.9153
 Diagonal vibrational polarizability:
       23.3408449      18.6359899      37.6192271
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     39.2342                76.5652               177.9152
 Red. masses --      6.6756                 2.9674                 3.6021
 Frc consts  --      0.0061                 0.0102                 0.0672
 IR Inten    --      1.3583                 0.1549                 0.5357
 RamAct Fr= 1--      0.9005                 0.4666                 0.5891
  Dep-P Fr= 1--      0.7471                 0.7443                 0.6427
  Dep-U Fr= 1--      0.8552                 0.8534                 0.7825
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0011
 Beta2  Fr= 1--      0.1284                 0.0664                 0.0768
 AlphaG Fr= 1--     -0.0008                -0.0002                -0.0030
 Gamma2 Fr= 1--      0.0402                 0.1282                 0.1174
 Delta2 Fr= 1--     -0.0291                 0.0368                 0.0843
 Raman1 Fr= 1--       3.602                  1.866                  2.357
 ROA1   Fr= 1--       2.926                 13.488                 13.972
 CID1   Fr= 1--       0.812                  7.227                  5.929
 Raman2 Fr= 1--       1.540                  0.796                  0.922
 ROA2   Fr= 1--       1.197                  2.783                  2.143
 CID2   Fr= 1--       0.777                  3.495                  2.325
 Raman3 Fr= 1--       3.081                  1.593                  1.844
 ROA3   Fr= 1--       2.926                 13.488                 13.972
 CID3   Fr= 1--       0.950                  8.468                  7.577
 RC180  Fr= 1--       0.710                  0.707                  0.565
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06  -0.06    -0.05  -0.16  -0.13    -0.02  -0.17  -0.01
     2   6     0.01  -0.01  -0.08    -0.01  -0.00   0.06    -0.10   0.04  -0.07
     3   6    -0.00   0.04   0.05     0.00   0.02   0.08    -0.01   0.15  -0.06
     4   6     0.00   0.01   0.05    -0.01  -0.00  -0.03     0.06   0.03  -0.00
     5   8    -0.20   0.23  -0.29    -0.10  -0.03  -0.08     0.04  -0.09   0.07
     6   6     0.03  -0.18  -0.09     0.15   0.17   0.05    -0.21   0.04  -0.06
     7   7     0.02   0.00   0.14    -0.01  -0.01   0.17     0.00   0.12   0.02
     8   8     0.16  -0.17   0.29     0.04   0.01  -0.09     0.21  -0.06   0.07
     9   1    -0.05   0.13   0.04     0.04   0.09   0.08    -0.03   0.20  -0.06
    10   1     0.01   0.03  -0.19    -0.11  -0.02   0.19    -0.22   0.08  -0.07
    11   1    -0.19   0.21  -0.29    -0.11  -0.04  -0.16     0.15  -0.23   0.16
    12   1    -0.03   0.04   0.26     0.02   0.03   0.17     0.02   0.16   0.05
    13   1     0.10  -0.08   0.17    -0.06  -0.06   0.16     0.00   0.07   0.03
    14   1     0.03  -0.22   0.02     0.33   0.18  -0.10    -0.02  -0.02  -0.05
    15   1     0.03  -0.23  -0.11     0.15   0.36   0.19    -0.30   0.25  -0.13
    16   1     0.03  -0.22  -0.17     0.08   0.11   0.06    -0.40  -0.13   0.00
    17   1     0.01   0.03   0.06     0.01  -0.12  -0.33     0.14  -0.20  -0.02
    18   1     0.01   0.02  -0.16    -0.03  -0.12  -0.08    -0.14  -0.29   0.04
    19   1    -0.02   0.20  -0.07    -0.14  -0.36  -0.12     0.01  -0.20  -0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    212.9229               220.2118               262.8489
 Red. masses --      1.0661                 1.1037                 1.8168
 Frc consts  --      0.0285                 0.0315                 0.0740
 IR Inten    --      7.5512                23.7414                 3.6001
 RamAct Fr= 1--      0.1533                 0.1008                 0.4617
  Dep-P Fr= 1--      0.3564                 0.7164                 0.2412
  Dep-U Fr= 1--      0.5255                 0.8348                 0.3887
 Alpha2 Fr= 1--      0.0013                 0.0001                 0.0056
 Beta2  Fr= 1--      0.0134                 0.0140                 0.0299
 AlphaG Fr= 1--      0.0011                -0.0009                -0.0078
 Gamma2 Fr= 1--      0.0321                -0.0224                -0.0459
 Delta2 Fr= 1--      0.0195                 0.0431                -0.0407
 Raman1 Fr= 1--       0.613                  0.403                  1.847
 ROA1   Fr= 1--       3.706                 -0.768                 -5.710
 CID1   Fr= 1--       6.042                 -1.906                 -3.092
 Raman2 Fr= 1--       0.161                  0.168                  0.359
 ROA2   Fr= 1--       0.614                 -0.881                 -0.776
 CID2   Fr= 1--       3.809                 -5.235                 -2.161
 Raman3 Fr= 1--       0.322                  0.337                  0.718
 ROA3   Fr= 1--       3.706                 -0.768                 -5.710
 CID3   Fr= 1--      11.497                 -2.283                 -7.954
 RC180  Fr= 1--       0.051                  0.670                 -0.223
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.01     0.02  -0.01   0.02    -0.03   0.01   0.01
     2   6     0.01   0.00  -0.01     0.00   0.02   0.01    -0.01   0.00   0.05
     3   6     0.00  -0.01  -0.02    -0.01  -0.00  -0.00    -0.01   0.03   0.05
     4   6    -0.00  -0.01  -0.00    -0.01  -0.01   0.01    -0.01   0.03   0.03
     5   8     0.02   0.01  -0.00    -0.02  -0.01  -0.00    -0.08  -0.03   0.02
     6   6    -0.02  -0.01  -0.01     0.03   0.02   0.01     0.10  -0.12   0.04
     7   7     0.00  -0.02   0.00    -0.01   0.01  -0.06    -0.01   0.08  -0.11
     8   8    -0.02  -0.00   0.01    -0.01   0.00  -0.02     0.05   0.02  -0.02
     9   1    -0.01  -0.00  -0.02    -0.02  -0.04  -0.00     0.00  -0.07   0.05
    10   1     0.03  -0.00  -0.02    -0.00   0.02   0.02    -0.05   0.03   0.00
    11   1     0.01   0.03   0.01    -0.03  -0.00  -0.03    -0.06  -0.07  -0.04
    12   1    -0.21  -0.05   0.24    -0.37  -0.08   0.30     0.17   0.05  -0.38
    13   1     0.30  -0.11   0.07     0.49  -0.06   0.05    -0.23   0.27  -0.18
    14   1     0.28  -0.09  -0.01     0.20  -0.03   0.02     0.48  -0.25   0.09
    15   1    -0.11   0.29  -0.02    -0.00   0.17   0.04     0.04   0.19   0.11
    16   1    -0.25  -0.23  -0.00    -0.08  -0.10  -0.01    -0.14  -0.43  -0.09
    17   1    -0.21   0.18  -0.28     0.23  -0.14   0.31    -0.05   0.02  -0.02
    18   1     0.09   0.30   0.32    -0.07  -0.26  -0.24    -0.01   0.04   0.01
    19   1     0.15  -0.32   0.03    -0.07   0.34   0.01    -0.06  -0.02   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    265.7551               295.0881               334.4582
 Red. masses --      1.3991                 3.1095                 3.2511
 Frc consts  --      0.0582                 0.1595                 0.2143
 IR Inten    --     10.2376                 3.9312                 3.3343
 RamAct Fr= 1--      0.0712                 0.3243                 1.3002
  Dep-P Fr= 1--      0.4354                 0.4484                 0.3502
  Dep-U Fr= 1--      0.6067                 0.6192                 0.5188
 Alpha2 Fr= 1--      0.0005                 0.0020                 0.0114
 Beta2  Fr= 1--      0.0072                 0.0335                 0.1124
 AlphaG Fr= 1--      0.0017                -0.0033                -0.0012
 Gamma2 Fr= 1--     -0.0408                 0.1286                -0.1639
 Delta2 Fr= 1--      0.0177                 0.1341                -0.1027
 Raman1 Fr= 1--       0.285                  1.297                  5.201
 ROA1   Fr= 1--      -3.349                 16.632                -19.021
 CID1   Fr= 1--     -11.758                 12.822                 -3.657
 Raman2 Fr= 1--       0.086                  0.402                  1.349
 ROA2   Fr= 1--      -1.120                  2.013                 -3.113
 CID2   Fr= 1--     -12.961                  5.013                 -2.307
 Raman3 Fr= 1--       0.173                  0.803                  2.698
 ROA3   Fr= 1--      -3.349                 16.632                -19.021
 CID3   Fr= 1--     -19.382                 20.706                 -7.050
 RC180  Fr= 1--       0.213                  0.238                  0.038
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.03    -0.14   0.14  -0.06    -0.19   0.05  -0.11
     2   6     0.01  -0.01  -0.04    -0.05  -0.05   0.02    -0.05  -0.02   0.12
     3   6     0.00  -0.03  -0.03    -0.01  -0.04   0.01     0.03  -0.02   0.00
     4   6    -0.00  -0.02  -0.02    -0.02   0.00   0.02     0.09  -0.01  -0.08
     5   8     0.05   0.03  -0.01    -0.08  -0.06   0.02     0.21   0.08  -0.06
     6   6    -0.01   0.06  -0.04    -0.09   0.07   0.02    -0.04  -0.07   0.14
     7   7    -0.03  -0.05   0.08     0.30  -0.08  -0.01    -0.10  -0.01   0.01
     8   8    -0.06  -0.02   0.03     0.05  -0.01  -0.01     0.06  -0.02  -0.02
     9   1     0.01   0.04  -0.03    -0.04  -0.06   0.01     0.17  -0.05   0.01
    10   1     0.04  -0.02  -0.03     0.02  -0.07   0.05    -0.06  -0.02   0.14
    11   1     0.05   0.05   0.04    -0.06  -0.11  -0.03     0.19   0.16   0.09
    12   1     0.25   0.03  -0.17     0.49   0.09  -0.03    -0.25  -0.10   0.08
    13   1    -0.43  -0.06  -0.00     0.33   0.00  -0.01    -0.07  -0.08   0.03
    14   1     0.35  -0.01  -0.13    -0.02   0.08  -0.05     0.01  -0.11   0.21
    15   1    -0.11   0.46  -0.01    -0.13   0.19   0.01    -0.06  -0.04   0.11
    16   1    -0.28  -0.20   0.03    -0.16   0.04   0.12    -0.10  -0.14   0.09
    17   1     0.09  -0.05   0.26    -0.24   0.13   0.04    -0.18   0.05  -0.12
    18   1    -0.01  -0.10  -0.12    -0.02   0.18  -0.25    -0.05   0.07  -0.39
    19   1     0.03   0.28   0.01    -0.28   0.29  -0.06    -0.51   0.14  -0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --    395.1781               465.4944               570.4598
 Red. masses --      2.3729                 4.0234                 2.2409
 Frc consts  --      0.2183                 0.5137                 0.4297
 IR Inten    --      1.8310                 7.8585                38.9588
 RamAct Fr= 1--      0.5113                 4.0485                 1.3714
  Dep-P Fr= 1--      0.3113                 0.1849                 0.6994
  Dep-U Fr= 1--      0.4748                 0.3121                 0.8231
 Alpha2 Fr= 1--      0.0051                 0.0572                 0.0012
 Beta2  Fr= 1--      0.0405                 0.2106                 0.1881
 AlphaG Fr= 1--     -0.0260                 0.0364                 0.0191
 Gamma2 Fr= 1--      0.0962                 0.6935                -1.3446
 Delta2 Fr= 1--     -0.0820                -0.0511                 0.1850
 Raman1 Fr= 1--       2.045                 16.194                  5.485
 ROA1   Fr= 1--       6.609                 64.940               -123.163
 CID1   Fr= 1--       3.232                  4.010                -22.453
 Raman2 Fr= 1--       0.485                  2.527                  2.258
 ROA2   Fr= 1--       2.964                 17.052                -33.751
 CID2   Fr= 1--       6.104                  6.747                -14.950
 Raman3 Fr= 1--       0.971                  5.054                  4.515
 ROA3   Fr= 1--       6.609                 64.940               -123.163
 CID3   Fr= 1--       6.807                 12.848                -27.278
 RC180  Fr= 1--      -0.050                 -0.376                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.00   0.16    -0.05   0.00   0.05    -0.05  -0.01   0.03
     2   6    -0.15  -0.03  -0.02    -0.03  -0.19  -0.08    -0.04  -0.00  -0.04
     3   6    -0.06   0.05  -0.09    -0.01  -0.12   0.05    -0.00   0.02   0.14
     4   6    -0.03   0.03  -0.09     0.08   0.07   0.14     0.05  -0.15   0.09
     5   8     0.06   0.00  -0.02    -0.04   0.09   0.07     0.11  -0.01  -0.03
     6   6     0.15   0.01  -0.04    -0.01   0.05  -0.11    -0.01   0.01  -0.07
     7   7     0.04  -0.00   0.01    -0.13  -0.11  -0.03     0.03   0.11   0.00
     8   8     0.02  -0.05   0.02     0.23   0.14  -0.08    -0.06  -0.06  -0.05
     9   1     0.01   0.08  -0.08    -0.16  -0.16   0.04    -0.11   0.06   0.13
    10   1    -0.18  -0.03  -0.01    -0.02  -0.19  -0.08    -0.10   0.03  -0.08
    11   1     0.15  -0.07   0.20    -0.13   0.18  -0.14    -0.32   0.54  -0.51
    12   1     0.07   0.10   0.10    -0.30  -0.28  -0.03     0.03   0.04  -0.09
    13   1     0.10  -0.09   0.03    -0.13  -0.09  -0.03     0.13   0.32  -0.00
    14   1     0.20   0.04  -0.17    -0.01   0.16  -0.39    -0.01   0.05  -0.16
    15   1     0.32  -0.07   0.28     0.00   0.17  -0.01     0.00   0.05  -0.03
    16   1     0.34   0.10  -0.26     0.01   0.16   0.08     0.01   0.06  -0.04
    17   1    -0.23  -0.00   0.26    -0.28   0.01   0.22    -0.10  -0.01   0.06
    18   1    -0.16   0.03   0.30     0.03   0.10   0.07    -0.06   0.01   0.08
    19   1     0.10   0.05   0.15     0.09   0.15   0.05     0.02   0.01   0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    610.1755               652.1450               720.2142
 Red. masses --      2.7240                 1.7119                 2.8649
 Frc consts  --      0.5975                 0.4290                 0.8755
 IR Inten    --     26.0524                61.8391                41.4201
 RamAct Fr= 1--      0.5640                 2.8517                13.0185
  Dep-P Fr= 1--      0.7469                 0.0928                 0.0600
  Dep-U Fr= 1--      0.8551                 0.1699                 0.1132
 Alpha2 Fr= 1--      0.0000                 0.0508                 0.2511
 Beta2  Fr= 1--      0.0804                 0.0807                 0.2456
 AlphaG Fr= 1--     -0.0006                 0.0609                 0.1545
 Gamma2 Fr= 1--      0.5183                -0.0083                -1.1382
 Delta2 Fr= 1--      0.2989                 0.0432                 0.0879
 Raman1 Fr= 1--       2.256                 11.407                 52.074
 ROA1   Fr= 1--      59.321                  0.584               -106.454
 CID1   Fr= 1--      26.294                  0.051                 -2.044
 Raman2 Fr= 1--       0.965                  0.969                  2.947
 ROA2   Fr= 1--      10.048                 -0.546                -28.019
 CID2   Fr= 1--      10.417                 -0.563                 -9.508
 Raman3 Fr= 1--       1.929                  1.938                  5.894
 ROA3   Fr= 1--      59.321                  0.584               -106.454
 CID3   Fr= 1--      30.749                  0.301                -18.062
 RC180  Fr= 1--       0.710                 -0.660                 -0.774
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.01     0.04  -0.00  -0.01    -0.09   0.00   0.04
     2   6    -0.04   0.21   0.01     0.03  -0.05  -0.01    -0.05   0.15  -0.01
     3   6    -0.14  -0.04  -0.03    -0.05  -0.01   0.12     0.06  -0.05   0.08
     4   6    -0.07  -0.06   0.05    -0.07  -0.06   0.00     0.18  -0.06   0.15
     5   8     0.03   0.10   0.06    -0.00   0.09  -0.03    -0.00  -0.03  -0.14
     6   6     0.00   0.01   0.02    -0.00  -0.00  -0.02    -0.01   0.03  -0.09
     7   7     0.02  -0.15  -0.00     0.01   0.06  -0.00     0.00  -0.08  -0.01
     8   8     0.11  -0.04  -0.10     0.02  -0.06  -0.09    -0.06   0.11   0.01
     9   1    -0.24  -0.09  -0.03    -0.05   0.02   0.12    -0.06  -0.10   0.07
    10   1     0.07   0.15   0.07     0.02  -0.04  -0.04    -0.03   0.14  -0.00
    11   1    -0.18   0.44   0.06     0.31  -0.17   0.82     0.39  -0.57   0.25
    12   1     0.28   0.08  -0.03     0.00   0.01  -0.05     0.02  -0.12  -0.08
    13   1     0.01  -0.15  -0.01     0.15   0.24   0.01    -0.00   0.01  -0.02
    14   1     0.05  -0.12   0.30    -0.04   0.05  -0.11     0.03  -0.05   0.08
    15   1     0.03  -0.13  -0.00    -0.04   0.07  -0.06     0.02  -0.07  -0.07
    16   1    -0.00  -0.12  -0.24    -0.03   0.04   0.13    -0.00  -0.05  -0.30
    17   1     0.32  -0.03  -0.12    -0.01   0.01   0.01     0.10  -0.03  -0.03
    18   1    -0.18  -0.18   0.10     0.06   0.03  -0.01    -0.25  -0.13   0.13
    19   1     0.06  -0.15   0.00     0.06   0.02  -0.01    -0.06  -0.11   0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    821.9905               834.1573               901.4464
 Red. masses --      2.0755                 3.3812                 2.1094
 Frc consts  --      0.8263                 1.3862                 1.0099
 IR Inten    --    105.5367                 4.2802                63.8798
 RamAct Fr= 1--      0.7035                 6.6774                 0.8036
  Dep-P Fr= 1--      0.7446                 0.0602                 0.6816
  Dep-U Fr= 1--      0.8536                 0.1136                 0.8107
 Alpha2 Fr= 1--      0.0001                 0.1287                 0.0010
 Beta2  Fr= 1--      0.1001                 0.1264                 0.1086
 AlphaG Fr= 1--     -0.0024                -0.1140                -0.0007
 Gamma2 Fr= 1--     -0.2606                 0.2872                 0.0329
 Delta2 Fr= 1--      0.0438                 0.1019                 0.2738
 Raman1 Fr= 1--       2.814                 26.709                  3.214
 ROA1   Fr= 1--     -23.619                 30.836                 11.916
 CID1   Fr= 1--      -8.393                  1.155                  3.707
 Raman2 Fr= 1--       1.201                  1.517                  1.303
 ROA2   Fr= 1--      -6.605                  6.078                 -1.401
 CID2   Fr= 1--      -5.500                  4.006                 -1.075
 Raman3 Fr= 1--       2.402                  3.035                  2.606
 ROA3   Fr= 1--     -23.619                 30.836                 11.916
 CID3   Fr= 1--      -9.833                 10.162                  4.573
 RC180  Fr= 1--       0.707                 -0.773                  0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.01  -0.04     0.07  -0.02  -0.05    -0.07  -0.06   0.07
     2   6    -0.01  -0.04  -0.02    -0.03  -0.08  -0.08     0.10   0.00   0.05
     3   6    -0.15   0.03   0.07    -0.08   0.07  -0.20     0.11   0.08  -0.09
     4   6     0.02   0.08  -0.03     0.12  -0.15   0.22     0.03  -0.07   0.04
     5   8     0.08  -0.06  -0.07    -0.02   0.03  -0.06    -0.06   0.05   0.05
     6   6    -0.00  -0.01   0.05    -0.01  -0.02   0.19     0.03   0.02  -0.08
     7   7    -0.11  -0.10  -0.01     0.01   0.07   0.01    -0.11  -0.05   0.00
     8   8     0.01   0.05   0.05    -0.03   0.04  -0.06    -0.01  -0.03  -0.03
     9   1    -0.16   0.06   0.07    -0.43   0.11  -0.22     0.17   0.10  -0.09
    10   1    -0.03  -0.02  -0.04    -0.09  -0.09  -0.01    -0.02   0.01   0.11
    11   1     0.10  -0.14  -0.20     0.06  -0.07   0.10    -0.05   0.05   0.07
    12   1     0.45   0.33  -0.13     0.08   0.26   0.15     0.42   0.40  -0.05
    13   1     0.55   0.32   0.06    -0.14  -0.24   0.01     0.43   0.09   0.07
    14   1    -0.01   0.03  -0.03     0.04  -0.00   0.11    -0.04  -0.03   0.07
    15   1    -0.01   0.04   0.07     0.06  -0.01   0.37    -0.04  -0.04  -0.28
    16   1     0.00   0.04   0.15     0.05   0.02   0.14    -0.04  -0.04  -0.03
    17   1     0.04   0.00   0.01    -0.18   0.01   0.08    -0.25   0.00   0.03
    18   1     0.06   0.02   0.00     0.21   0.14  -0.07     0.14   0.10  -0.12
    19   1     0.15   0.04  -0.04     0.15   0.15  -0.06    -0.31   0.02   0.07
                     19                     20                     21
                      A                      A                      A
 Frequencies --    939.5196               950.7170               974.6172
 Red. masses --      1.2931                 1.9895                 1.5450
 Frc consts  --      0.6725                 1.0595                 0.8646
 IR Inten    --     13.5562                 8.9767                 3.6334
 RamAct Fr= 1--      1.4518                 5.3606                 2.0052
  Dep-P Fr= 1--      0.5022                 0.6817                 0.7334
  Dep-U Fr= 1--      0.6686                 0.8107                 0.8462
 Alpha2 Fr= 1--      0.0071                 0.0065                 0.0006
 Beta2  Fr= 1--      0.1618                 0.7243                 0.2828
 AlphaG Fr= 1--     -0.0087                -0.0017                -0.0033
 Gamma2 Fr= 1--      0.6542                 0.3711                 0.1762
 Delta2 Fr= 1--      0.3639                -0.4004                 0.0974
 Raman1 Fr= 1--       5.807                 21.443                  8.021
 ROA1   Fr= 1--      74.445                 22.812                 20.036
 CID1   Fr= 1--      12.820                  1.064                  2.498
 Raman2 Fr= 1--       1.941                  8.692                  3.393
 ROA2   Fr= 1--      12.789                 12.109                  3.450
 CID2   Fr= 1--       6.588                  1.393                  1.017
 Raman3 Fr= 1--       3.883                 17.384                  6.787
 ROA3   Fr= 1--      74.445                 22.812                 20.036
 CID3   Fr= 1--      19.174                  1.312                  2.952
 RC180  Fr= 1--       0.337                  0.621                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.05   0.03     0.05  -0.01  -0.10    -0.12   0.04  -0.02
     2   6    -0.05   0.00   0.01    -0.11   0.03  -0.07     0.04   0.02  -0.09
     3   6     0.06   0.02  -0.01     0.17   0.03   0.05     0.04   0.02  -0.01
     4   6     0.01  -0.02   0.01     0.01  -0.02  -0.03     0.01  -0.01  -0.01
     5   8    -0.02   0.02   0.02    -0.04   0.03   0.05    -0.02   0.01   0.02
     6   6    -0.07  -0.06   0.01    -0.04   0.03   0.07     0.07  -0.05   0.09
     7   7    -0.02  -0.03  -0.00    -0.03  -0.08  -0.01    -0.01  -0.02  -0.01
     8   8    -0.01  -0.01  -0.01    -0.01  -0.03  -0.01    -0.01  -0.01  -0.01
     9   1     0.13   0.04  -0.01     0.27   0.13   0.05     0.08   0.05  -0.01
    10   1     0.06   0.10  -0.33    -0.40   0.07   0.03     0.11   0.07  -0.28
    11   1    -0.02   0.01   0.02    -0.03   0.03   0.05    -0.01   0.00   0.01
    12   1     0.06   0.02  -0.04     0.01  -0.17  -0.16     0.03   0.01  -0.01
    13   1     0.09   0.03   0.01     0.14   0.15  -0.01     0.04  -0.00   0.00
    14   1     0.11   0.09  -0.46     0.05  -0.05   0.20    -0.14   0.09  -0.08
    15   1     0.10   0.13   0.48     0.05  -0.08   0.21    -0.09   0.14  -0.15
    16   1     0.16   0.16  -0.02     0.03  -0.02  -0.20    -0.04   0.06   0.57
    17   1     0.30   0.06  -0.25    -0.22  -0.02   0.21     0.15  -0.06   0.07
    18   1     0.01  -0.08  -0.14     0.06   0.13   0.12    -0.46  -0.20   0.28
    19   1    -0.27  -0.17   0.04     0.46   0.25  -0.12     0.23  -0.09  -0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1066.4707              1092.5092              1160.7584
 Red. masses --      1.5746                 1.6258                 2.3788
 Frc consts  --      1.0552                 1.1433                 1.8884
 IR Inten    --     41.5288                20.3666               134.9912
 RamAct Fr= 1--      4.1986                 4.2911                 0.7646
  Dep-P Fr= 1--      0.4101                 0.6244                 0.4175
  Dep-U Fr= 1--      0.5817                 0.7688                 0.5891
 Alpha2 Fr= 1--      0.0300                 0.0098                 0.0053
 Beta2  Fr= 1--      0.4070                 0.5498                 0.0751
 AlphaG Fr= 1--     -0.0261                -0.0149                 0.0073
 Gamma2 Fr= 1--      0.2906                -1.2376                -0.2890
 Delta2 Fr= 1--      0.6103                -0.6115                -0.5529
 Raman1 Fr= 1--      16.795                 17.164                  3.059
 ROA1   Fr= 1--      47.430               -138.373                -45.433
 CID1   Fr= 1--       2.824                 -8.062                -14.855
 Raman2 Fr= 1--       4.885                  6.598                  0.901
 ROA2   Fr= 1--       2.093                -24.809                 -2.512
 CID2   Fr= 1--       0.429                 -3.760                 -2.788
 Raman3 Fr= 1--       9.769                 13.196                  1.802
 ROA3   Fr= 1--      47.430               -138.373                -45.433
 CID3   Fr= 1--       4.855                -10.486                -25.216
 RC180  Fr= 1--       0.163                  0.538                  0.178
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.05  -0.00    -0.03  -0.05   0.09     0.04   0.04   0.01
     2   6     0.03  -0.08  -0.06     0.07   0.02  -0.13    -0.06  -0.05   0.05
     3   6     0.03  -0.11  -0.04     0.01   0.07   0.03    -0.12   0.08   0.02
     4   6     0.02   0.00  -0.03    -0.04   0.02  -0.01     0.17  -0.06  -0.08
     5   8    -0.02   0.03   0.03     0.01  -0.02  -0.02    -0.05   0.12   0.11
     6   6    -0.05   0.06   0.03     0.00   0.03   0.07     0.04  -0.00  -0.03
     7   7    -0.03   0.07   0.05     0.03  -0.08  -0.01     0.04  -0.05  -0.01
     8   8     0.00  -0.01  -0.00     0.00   0.00   0.01    -0.04  -0.06  -0.03
     9   1    -0.07   0.16  -0.05    -0.35   0.50  -0.00    -0.02   0.33   0.02
    10   1     0.45  -0.25   0.12     0.10   0.04  -0.20    -0.06  -0.08   0.17
    11   1     0.03  -0.08  -0.07    -0.02   0.07   0.07     0.21  -0.49  -0.48
    12   1     0.05   0.03  -0.10    -0.18  -0.40  -0.16    -0.15  -0.27  -0.07
    13   1     0.19   0.34   0.06    -0.05   0.16  -0.05    -0.07   0.13  -0.04
    14   1     0.13  -0.09   0.25     0.03  -0.02   0.18    -0.08   0.01   0.02
    15   1     0.08  -0.14   0.19     0.02  -0.04   0.07    -0.04   0.01  -0.20
    16   1     0.01  -0.07  -0.39     0.00  -0.02  -0.01    -0.06  -0.04   0.10
    17   1     0.20  -0.02  -0.03    -0.16   0.02  -0.07     0.16   0.03  -0.08
    18   1    -0.26  -0.16   0.09     0.16   0.05  -0.16     0.02  -0.02  -0.05
    19   1     0.04  -0.12   0.00    -0.36  -0.04   0.09    -0.02  -0.05   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1173.5198              1209.7981              1230.6545
 Red. masses --      2.0171                 2.1235                 1.7620
 Frc consts  --      1.6366                 1.8311                 1.5723
 IR Inten    --     68.2642                 4.4973                10.5687
 RamAct Fr= 1--      5.0884                 2.5344                 2.2495
  Dep-P Fr= 1--      0.5639                 0.6036                 0.3953
  Dep-U Fr= 1--      0.7212                 0.7528                 0.5666
 Alpha2 Fr= 1--      0.0179                 0.0069                 0.0169
 Beta2  Fr= 1--      0.6116                 0.3180                 0.2124
 AlphaG Fr= 1--     -0.0011                -0.0082                 0.0130
 Gamma2 Fr= 1--     -0.0189                -0.3881                -0.4225
 Delta2 Fr= 1--      0.2958                 0.2930                -0.3623
 Raman1 Fr= 1--      20.354                 10.138                  8.998
 ROA1   Fr= 1--       7.649                -27.881                -52.156
 CID1   Fr= 1--       0.376                 -2.750                 -5.796
 Raman2 Fr= 1--       7.339                  3.816                  2.549
 ROA2   Fr= 1--      -2.820                -11.658                 -7.242
 CID2   Fr= 1--      -0.384                 -3.055                 -2.841
 Raman3 Fr= 1--      14.678                  7.632                  5.098
 ROA3   Fr= 1--       7.649                -27.881                -52.156
 CID3   Fr= 1--       0.521                 -3.653                -10.230
 RC180  Fr= 1--       0.442                  0.506                  0.133
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.11   0.01    -0.08  -0.03  -0.09     0.01  -0.04  -0.03
     2   6     0.09   0.13  -0.08     0.17   0.00   0.11    -0.03   0.12   0.07
     3   6    -0.04  -0.12   0.05    -0.05   0.14   0.03    -0.01  -0.11  -0.12
     4   6     0.04   0.01  -0.08     0.02  -0.01  -0.01    -0.03   0.00   0.03
     5   8    -0.01   0.07   0.06    -0.00  -0.01  -0.01     0.00  -0.01  -0.01
     6   6    -0.05  -0.02   0.04    -0.11  -0.04  -0.04     0.01  -0.09  -0.02
     7   7     0.00   0.06   0.01     0.01  -0.06  -0.04     0.01   0.02   0.07
     8   8    -0.01  -0.03  -0.01    -0.01  -0.00   0.00     0.01   0.02   0.00
     9   1    -0.09  -0.36   0.04    -0.09   0.20   0.04    -0.05   0.34  -0.13
    10   1     0.05   0.21  -0.29     0.32  -0.06   0.22     0.09   0.01   0.29
    11   1     0.16  -0.34  -0.31    -0.03   0.06   0.06    -0.01   0.01   0.01
    12   1     0.08   0.20   0.10    -0.05  -0.05   0.04    -0.10  -0.32  -0.20
    13   1    -0.01  -0.06   0.02    -0.10  -0.17  -0.05     0.15   0.52   0.04
    14   1     0.07   0.01  -0.10     0.19  -0.01  -0.29    -0.08   0.06  -0.32
    15   1     0.03   0.06   0.24     0.06   0.01   0.32    -0.05   0.17  -0.00
    16   1     0.09   0.09  -0.03     0.14   0.11  -0.26     0.06   0.07   0.19
    17   1    -0.40  -0.03   0.12    -0.12  -0.11   0.27    -0.15  -0.02   0.08
    18   1     0.17   0.13  -0.01    -0.18   0.02   0.25     0.08   0.09   0.04
    19   1    -0.08   0.15   0.00     0.32   0.09  -0.09     0.08   0.14  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1296.8328              1345.4981              1368.8359
 Red. masses --      1.2772                 2.2696                 1.4151
 Frc consts  --      1.2656                 2.4209                 1.5622
 IR Inten    --      0.8412                28.0251                 3.7505
 RamAct Fr= 1--      3.9168                 3.0927                 6.5242
  Dep-P Fr= 1--      0.6916                 0.6120                 0.6128
  Dep-U Fr= 1--      0.8177                 0.7593                 0.7599
 Alpha2 Fr= 1--      0.0040                 0.0078                 0.0164
 Beta2  Fr= 1--      0.5338                 0.3914                 0.8263
 AlphaG Fr= 1--     -0.0096                -0.0066                 0.0623
 Gamma2 Fr= 1--     -0.1400                 0.7016                -0.6241
 Delta2 Fr= 1--     -0.6098                 0.2571                -1.2525
 Raman1 Fr= 1--      15.667                 12.371                 26.097
 ROA1   Fr= 1--     -32.950                 75.581                -99.990
 CID1   Fr= 1--      -2.103                  6.110                 -3.832
 Raman2 Fr= 1--       6.406                  4.697                  9.916
 ROA2   Fr= 1--       1.519                 14.782                 -4.958
 CID2   Fr= 1--       0.237                  3.147                 -0.500
 Raman3 Fr= 1--      12.811                  9.393                 19.832
 ROA3   Fr= 1--     -32.950                 75.581                -99.990
 CID3   Fr= 1--      -2.572                  8.046                 -5.042
 RC180  Fr= 1--       0.635                  0.519                  0.520
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.00     0.02  -0.02   0.01     0.02  -0.05  -0.00
     2   6     0.01  -0.00  -0.02    -0.05   0.03  -0.03    -0.13   0.04  -0.03
     3   6    -0.13   0.02  -0.03    -0.04  -0.03   0.04     0.06   0.04   0.06
     4   6     0.02  -0.03   0.04     0.22  -0.05  -0.18    -0.04   0.00   0.02
     5   8    -0.01  -0.01  -0.01    -0.08  -0.04   0.02     0.02   0.01  -0.00
     6   6    -0.00   0.03   0.01     0.01  -0.02   0.01     0.03  -0.02  -0.01
     7   7     0.02  -0.01   0.01    -0.00   0.01  -0.00    -0.01  -0.00  -0.04
     8   8     0.00   0.03   0.01    -0.02   0.06   0.05     0.00  -0.01  -0.01
     9   1     0.85  -0.03   0.04    -0.19  -0.07   0.02     0.04   0.11   0.06
    10   1     0.26   0.03  -0.29     0.17  -0.09   0.16     0.80  -0.26   0.18
    11   1    -0.05   0.09   0.07    -0.31   0.57   0.58     0.06  -0.10  -0.10
    12   1    -0.07  -0.12  -0.03     0.04   0.08   0.03     0.06   0.15   0.07
    13   1    -0.00   0.16  -0.00     0.02  -0.00   0.00    -0.04  -0.26  -0.02
    14   1     0.02  -0.02   0.12    -0.06   0.02  -0.05    -0.12   0.01   0.01
    15   1     0.03  -0.04   0.03    -0.04   0.07  -0.04    -0.00   0.09   0.01
    16   1    -0.03  -0.02  -0.03     0.02   0.00   0.03    -0.04  -0.02   0.12
    17   1    -0.09  -0.01   0.01    -0.06   0.02  -0.04    -0.10   0.00  -0.05
    18   1     0.07   0.04  -0.03     0.05   0.00  -0.02     0.11   0.06  -0.02
    19   1     0.01   0.04  -0.01    -0.05   0.04   0.01     0.00   0.14  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1375.8114              1402.7931              1404.3504
 Red. masses --      1.3525                 1.2654                 1.2767
 Frc consts  --      1.5084                 1.4671                 1.4836
 IR Inten    --      0.9763                 8.7544                 7.9470
 RamAct Fr= 1--      3.7561                 3.4532                 0.1154
  Dep-P Fr= 1--      0.7145                 0.4208                 0.6615
  Dep-U Fr= 1--      0.8335                 0.5923                 0.7963
 Alpha2 Fr= 1--      0.0023                 0.0237                 0.0002
 Beta2  Fr= 1--      0.5218                 0.3409                 0.0153
 AlphaG Fr= 1--     -0.0012                 0.0182                -0.0000
 Gamma2 Fr= 1--     -1.2029                 1.1225                -0.0001
 Delta2 Fr= 1--      0.2141                 0.0397                -0.0204
 Raman1 Fr= 1--      15.024                 13.813                  0.462
 ROA1   Fr= 1--    -108.626                109.034                 -0.662
 CID1   Fr= 1--      -7.230                  7.894                 -1.434
 Raman2 Fr= 1--       6.261                  4.091                  0.184
 ROA2   Fr= 1--     -30.583                 26.623                  0.161
 CID2   Fr= 1--      -4.884                  6.508                  0.875
 Raman3 Fr= 1--      12.522                  8.181                  0.368
 ROA3   Fr= 1--    -108.626                109.034                 -0.662
 CID3   Fr= 1--      -8.674                 13.327                 -1.801
 RC180  Fr= 1--       0.667                  0.185                  0.593
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.04    -0.00   0.00  -0.00    -0.10  -0.02   0.06
     2   6     0.05   0.03  -0.14     0.00   0.00   0.03     0.02   0.01  -0.05
     3   6    -0.03  -0.01   0.03    -0.01  -0.12   0.03    -0.00   0.03   0.00
     4   6    -0.01  -0.00   0.02    -0.00  -0.01   0.00    -0.01   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.03  -0.05  -0.01     0.01   0.01   0.05    -0.00  -0.01   0.08
     7   7     0.00   0.00  -0.02    -0.00   0.02  -0.06     0.00  -0.00   0.01
     8   8     0.00   0.00  -0.00     0.01   0.02   0.01    -0.00  -0.00  -0.00
     9   1     0.36   0.11   0.06     0.15   0.76   0.04     0.05  -0.18   0.01
    10   1    -0.29  -0.17   0.71    -0.13   0.10  -0.16    -0.02  -0.07   0.20
    11   1     0.01  -0.02  -0.02    -0.01   0.01   0.01     0.01  -0.01  -0.01
    12   1     0.02   0.08   0.05     0.07   0.28   0.18    -0.01  -0.04  -0.02
    13   1    -0.04  -0.11  -0.01    -0.08  -0.24  -0.04     0.01   0.04   0.01
    14   1     0.03  -0.05  -0.01    -0.01   0.10  -0.19     0.04   0.11  -0.29
    15   1     0.03   0.09   0.20    -0.08  -0.05  -0.20    -0.14  -0.01  -0.24
    16   1     0.06   0.11   0.15     0.01  -0.09  -0.21     0.10  -0.05  -0.25
    17   1    -0.06   0.07  -0.05     0.03  -0.01   0.01     0.41  -0.05  -0.27
    18   1    -0.11  -0.15  -0.05     0.01   0.02   0.00     0.30   0.25  -0.27
    19   1    -0.16  -0.10   0.04     0.03   0.00  -0.00     0.40   0.12   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1425.3728              1487.7672              1495.4253
 Red. masses --      1.2457                 1.0409                 1.0504
 Frc consts  --      1.4912                 1.3574                 1.3840
 IR Inten    --      5.6415                 1.4044                 2.7627
 RamAct Fr= 1--      0.2123                 9.0814                 2.0710
  Dep-P Fr= 1--      0.7042                 0.7489                 0.7191
  Dep-U Fr= 1--      0.8264                 0.8565                 0.8366
 Alpha2 Fr= 1--      0.0002                 0.0002                 0.0011
 Beta2  Fr= 1--      0.0292                 1.2963                 0.2888
 AlphaG Fr= 1--     -0.0002                 0.0020                 0.0033
 Gamma2 Fr= 1--     -0.2052                -0.0705                 0.4337
 Delta2 Fr= 1--      0.1215                -0.3396                 0.2980
 Raman1 Fr= 1--       0.849                 36.325                  8.284
 ROA1   Fr= 1--     -15.808                -17.636                 51.174
 CID1   Fr= 1--     -18.613                 -0.486                  6.178
 Raman2 Fr= 1--       0.351                 15.555                  3.465
 ROA2   Fr= 1--      -5.897                  1.025                  8.025
 CID2   Fr= 1--     -16.803                  0.066                  2.316
 Raman3 Fr= 1--       0.702                 31.111                  6.930
 ROA3   Fr= 1--     -15.808                -17.636                 51.174
 CID3   Fr= 1--     -22.523                 -0.567                  7.384
 RC180  Fr= 1--       0.653                  0.713                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.02   0.02    -0.01   0.04   0.01    -0.01  -0.00  -0.04
     2   6     0.01  -0.00   0.02    -0.00  -0.00   0.02     0.01  -0.01  -0.03
     3   6    -0.00  -0.05   0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.00  -0.11     0.01  -0.03  -0.00     0.03  -0.02   0.01
     7   7    -0.00   0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   8     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.03   0.22   0.00    -0.02   0.01   0.00     0.04  -0.04   0.00
    10   1    -0.08   0.05  -0.07     0.04   0.02  -0.08    -0.04  -0.02   0.04
    11   1    -0.01   0.02   0.02     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    12   1     0.03   0.07   0.03    -0.00   0.00   0.01    -0.00   0.01   0.02
    13   1    -0.02  -0.07  -0.01    -0.01  -0.01  -0.00    -0.01   0.01  -0.00
    14   1    -0.01  -0.19   0.41    -0.19  -0.05   0.22    -0.36   0.07   0.08
    15   1     0.19   0.05   0.38    -0.14   0.44  -0.03    -0.03   0.32   0.11
    16   1    -0.09   0.14   0.39     0.25   0.15  -0.19     0.03  -0.10  -0.21
    17   1     0.33  -0.08  -0.12    -0.21   0.02   0.20     0.34  -0.20   0.36
    18   1     0.22   0.23  -0.13     0.04  -0.17  -0.44     0.16   0.37   0.31
    19   1     0.29   0.08   0.00     0.28  -0.42   0.02    -0.34  -0.12  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1507.9898              1514.4094              1671.0791
 Red. masses --      1.0434                 1.0566                 1.0909
 Frc consts  --      1.3980                 1.4277                 1.7948
 IR Inten    --      9.4953                 7.1834                39.1632
 RamAct Fr= 1--      2.7987                 4.7774                 2.4171
  Dep-P Fr= 1--      0.7496                 0.7487                 0.5243
  Dep-U Fr= 1--      0.8569                 0.8563                 0.6879
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0106
 Beta2  Fr= 1--      0.3997                 0.6818                 0.2771
 AlphaG Fr= 1--     -0.0007                -0.0003                -0.0087
 Gamma2 Fr= 1--     -0.1291                -0.5199                -0.0821
 Delta2 Fr= 1--      0.3363                -0.1015                 0.2486
 Raman1 Fr= 1--      11.195                 19.109                  9.668
 ROA1   Fr= 1--      -1.628                -53.162                  0.068
 CID1   Fr= 1--      -0.145                 -2.782                  0.007
 Raman2 Fr= 1--       4.796                  8.181                  3.325
 ROA2   Fr= 1--      -5.788                -11.666                 -3.960
 CID2   Fr= 1--      -1.207                 -1.426                 -1.191
 Raman3 Fr= 1--       9.592                 16.363                  6.651
 ROA3   Fr= 1--      -1.628                -53.162                  0.068
 CID3   Fr= 1--      -0.170                 -3.249                  0.010
 RC180  Fr= 1--       0.714                  0.713                  0.376
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.00    -0.00   0.02  -0.02    -0.00   0.00   0.00
     2   6    -0.01  -0.03   0.01    -0.04   0.02  -0.02    -0.01  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.01   0.00     0.03   0.01  -0.01
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.02  -0.03   0.00    -0.04   0.00   0.01    -0.00   0.00  -0.00
     7   7    -0.00   0.00   0.00    -0.00   0.01   0.00     0.02  -0.07  -0.03
     8   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   1     0.01   0.03  -0.00     0.01   0.01   0.00    -0.02  -0.05  -0.01
    10   1    -0.03  -0.00  -0.07     0.07  -0.02   0.02     0.02  -0.02   0.02
    11   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   1     0.01  -0.00  -0.02     0.01  -0.01  -0.03    -0.12   0.33   0.59
    13   1    -0.01  -0.02   0.00     0.01  -0.04   0.01    -0.33   0.61  -0.14
    14   1     0.18  -0.18   0.26     0.53  -0.14  -0.02     0.04  -0.03   0.02
    15   1    -0.22   0.32  -0.23    -0.07  -0.25  -0.27    -0.00  -0.01  -0.01
    16   1     0.41   0.37  -0.09     0.15   0.28   0.22     0.02   0.03   0.03
    17   1     0.07   0.05  -0.28     0.12  -0.13   0.40     0.00  -0.00  -0.00
    18   1    -0.10   0.00   0.27     0.17   0.20  -0.03     0.00   0.00  -0.00
    19   1    -0.13   0.38  -0.02    -0.11  -0.35   0.01    -0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1802.5796              3030.0382              3034.7536
 Red. masses --      9.8702                 1.0356                 1.0364
 Frc consts  --     18.8958                 5.6021                 5.6238
 IR Inten    --    262.6337                32.6318                16.2757
 RamAct Fr= 1--      9.7386                32.6142               295.1998
  Dep-P Fr= 1--      0.2070                 0.0547                 0.0077
  Dep-U Fr= 1--      0.3431                 0.1037                 0.0153
 Alpha2 Fr= 1--      0.1298                 0.6370                 6.4427
 Beta2  Fr= 1--      0.5568                 0.5640                 0.7539
 AlphaG Fr= 1--     -0.0535                 0.0595                -0.1368
 Gamma2 Fr= 1--      0.8698                -1.7147                 1.0701
 Delta2 Fr= 1--     -1.1566                -1.4195                 0.8783
 Raman1 Fr= 1--      38.954                130.457               1180.799
 ROA1   Fr= 1--      46.488               -210.038                130.838
 CID1   Fr= 1--       1.193                 -1.610                  0.111
 Raman2 Fr= 1--       6.682                  6.767                  9.047
 ROA2   Fr= 1--      30.127                -29.797                 18.657
 CID2   Fr= 1--       4.509                 -4.403                  2.062
 Raman3 Fr= 1--      13.364                 13.535                 18.094
 ROA3   Fr= 1--      46.488               -210.038                130.838
 CID3   Fr= 1--       3.479                -15.518                  7.231
 RC180  Fr= 1--      -0.314                 -0.793                 -0.969
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.02   0.00  -0.01     0.04   0.00  -0.02
     2   6    -0.01   0.02  -0.01     0.00   0.01   0.00    -0.00   0.00   0.00
     3   6    -0.04  -0.05  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.01
     4   6     0.30   0.60   0.25     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8    -0.02  -0.05  -0.02    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.01   0.00     0.00  -0.01  -0.04    -0.00   0.00   0.02
     7   7    -0.01  -0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   8    -0.16  -0.39  -0.18    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   1     0.11   0.12   0.01    -0.00   0.00   0.02     0.01  -0.00  -0.08
    10   1     0.05   0.01   0.01    -0.02  -0.09  -0.03    -0.00  -0.02  -0.01
    11   1    -0.17   0.32   0.32     0.00   0.00   0.00     0.00   0.00  -0.00
    12   1    -0.01   0.01   0.02    -0.00   0.00   0.00     0.00   0.00  -0.00
    13   1    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.01   0.00  -0.00     0.15   0.51   0.19    -0.08  -0.26  -0.10
    15   1    -0.01   0.03  -0.00    -0.46  -0.14   0.20     0.26   0.08  -0.11
    16   1     0.01   0.01   0.01     0.29  -0.29   0.12    -0.15   0.15  -0.06
    17   1    -0.02  -0.00   0.01    -0.04  -0.20  -0.06    -0.09  -0.38  -0.11
    18   1     0.03   0.02  -0.01    -0.20   0.18  -0.10    -0.37   0.32  -0.18
    19   1    -0.00  -0.00   0.00     0.01   0.02   0.30     0.02   0.03   0.58
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3045.5919              3054.7955              3090.5210
 Red. masses --      1.0835                 1.0838                 1.1019
 Frc consts  --      5.9213                 5.9587                 6.2008
 IR Inten    --      2.1089                13.3465                24.9360
 RamAct Fr= 1--     68.7500               121.2542                63.7602
  Dep-P Fr= 1--      0.6337                 0.0858                 0.7459
  Dep-U Fr= 1--      0.7758                 0.1580                 0.8544
 Alpha2 Fr= 1--      0.1450                 2.1977                 0.0045
 Beta2  Fr= 1--      8.8891                 3.1937                 9.0798
 AlphaG Fr= 1--      0.0193                -0.1483                -0.0164
 Gamma2 Fr= 1--      5.8393                -9.1182                 5.4223
 Delta2 Fr= 1--      5.0753                -5.7902                 4.3129
 Raman1 Fr= 1--     275.000                485.017                255.041
 ROA1   Fr= 1--     722.987              -1060.634                658.552
 CID1   Fr= 1--       2.629                 -2.187                  2.582
 Raman2 Fr= 1--     106.669                 38.325                108.958
 ROA2   Fr= 1--      99.541               -172.516                 95.631
 CID2   Fr= 1--       0.933                 -4.501                  0.878
 Raman3 Fr= 1--     213.338                 76.650                217.915
 ROA3   Fr= 1--     722.987              -1060.634                658.552
 CID3   Fr= 1--       3.389                -13.837                  3.022
 RC180  Fr= 1--       0.552                 -0.684                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.00     0.01   0.00   0.00    -0.04   0.02  -0.07
     2   6    -0.02  -0.07  -0.02    -0.01  -0.02  -0.01    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.03     0.01  -0.00  -0.08     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6     0.01   0.02  -0.01     0.00   0.01   0.00     0.03   0.01  -0.00
     7   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1     0.03  -0.00  -0.33    -0.07   0.01   0.93    -0.00  -0.00   0.04
    10   1     0.21   0.83   0.29     0.07   0.29   0.10    -0.00  -0.01  -0.00
    11   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00   0.01     0.01   0.00  -0.02    -0.00   0.00   0.00
    14   1    -0.02  -0.08  -0.03    -0.02  -0.07  -0.03    -0.03  -0.14  -0.06
    15   1    -0.14  -0.03   0.06    -0.01  -0.00   0.01    -0.27  -0.08   0.12
    16   1     0.09  -0.08   0.04     0.03  -0.02   0.01    -0.10   0.11  -0.05
    17   1    -0.03  -0.13  -0.04    -0.02  -0.09  -0.02     0.01   0.08   0.00
    18   1     0.01  -0.01   0.01    -0.04   0.04  -0.02     0.46  -0.40   0.20
    19   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00     0.01   0.04   0.65
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3091.8408              3096.4634              3111.8500
 Red. masses --      1.1013                 1.1006                 1.1005
 Frc consts  --      6.2031                 6.2173                 6.2787
 IR Inten    --     26.0084                33.4869                26.3683
 RamAct Fr= 1--     37.0141                97.1332                47.9846
  Dep-P Fr= 1--      0.6194                 0.6083                 0.6969
  Dep-U Fr= 1--      0.7649                 0.7565                 0.8214
 Alpha2 Fr= 1--      0.0885                 0.2535                 0.0445
 Beta2  Fr= 1--      4.7189                12.2463                 6.5688
 AlphaG Fr= 1--     -0.1154                 0.0295                -0.0724
 Gamma2 Fr= 1--     -6.0589                 6.0029                -4.1104
 Delta2 Fr= 1--     -5.6545                 7.8269                -4.0890
 Raman1 Fr= 1--     148.056                388.533                191.939
 ROA1   Fr= 1--    -762.601                826.738               -525.448
 CID1   Fr= 1--      -5.151                  2.128                 -2.738
 Raman2 Fr= 1--      56.627                146.955                 78.826
 ROA2   Fr= 1--    -100.179                 81.455                -65.937
 CID2   Fr= 1--      -1.769                  0.554                 -0.836
 Raman3 Fr= 1--     113.255                293.910                157.651
 ROA3   Fr= 1--    -762.601                826.738               -525.448
 CID3   Fr= 1--      -6.734                  2.813                 -3.333
 RC180  Fr= 1--       0.530                  0.513                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.02    -0.01  -0.01  -0.02     0.00  -0.08  -0.03
     2   6    -0.00  -0.01  -0.01    -0.00   0.01   0.00    -0.00  -0.02  -0.01
     3   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.05  -0.07   0.00    -0.07   0.05  -0.00     0.00  -0.01   0.00
     7   7     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.00   0.00   0.02     0.00   0.00  -0.01    -0.00  -0.00   0.02
    10   1     0.04   0.16   0.06    -0.01  -0.06  -0.02     0.04   0.17   0.06
    11   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   1    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1     0.17   0.62   0.25    -0.08  -0.22  -0.09     0.03   0.11   0.05
    15   1     0.53   0.14  -0.24     0.35   0.12  -0.16     0.02   0.00  -0.01
    16   1    -0.10   0.07  -0.04     0.57  -0.56   0.26    -0.08   0.07  -0.03
    17   1    -0.03  -0.10  -0.04     0.03   0.13   0.03     0.20   0.80   0.22
    18   1     0.19  -0.16   0.09     0.09  -0.08   0.04    -0.26   0.21  -0.13
    19   1     0.00   0.02   0.17     0.00   0.01   0.18     0.01  -0.00   0.27
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3509.3280              3579.3258              3721.8114
 Red. masses --      1.0491                 1.0927                 1.0640
 Frc consts  --      7.6125                 8.2483                 8.6839
 IR Inten    --      1.6404                 4.6526                63.6087
 RamAct Fr= 1--    100.9454                41.5645               108.7711
  Dep-P Fr= 1--      0.1057                 0.6825                 0.2215
  Dep-U Fr= 1--      0.1911                 0.8113                 0.3626
 Alpha2 Fr= 1--      1.7430                 0.0494                 1.3946
 Beta2  Fr= 1--      3.2156                 5.6203                 6.5735
 AlphaG Fr= 1--      0.5222                 0.1342                 0.1291
 Gamma2 Fr= 1--      0.8384                 1.7750                 2.4306
 Delta2 Fr= 1--     -0.2891                 0.6288                -0.9355
 Raman1 Fr= 1--     403.782                166.258                435.085
 ROA1   Fr= 1--      71.235                190.522                203.404
 CID1   Fr= 1--       0.176                  1.146                  0.468
 Raman2 Fr= 1--      38.587                 67.443                 78.882
 ROA2   Fr= 1--      22.434                 37.569                 65.819
 CID2   Fr= 1--       0.581                  0.557                  0.834
 Raman3 Fr= 1--      77.174                134.887                157.764
 ROA3   Fr= 1--      71.235                190.522                203.404
 CID3   Fr= 1--       0.923                  1.412                  1.289
 RC180  Fr= 1--      -0.618                  0.623                 -0.275
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.05  -0.03   0.01
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   7     0.04  -0.04  -0.02    -0.02   0.03  -0.07     0.00   0.00   0.00
     8   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   1    -0.00  -0.00   0.01    -0.00   0.00   0.02    -0.00   0.00   0.00
    10   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    11   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.85   0.50  -0.16
    12   1    -0.42   0.44  -0.38     0.43  -0.43   0.34     0.00  -0.00   0.00
    13   1    -0.11   0.06   0.69    -0.14   0.07   0.69     0.00  -0.00  -0.00
    14   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   603.543841265.765451368.64540
           X            0.99960  -0.02748  -0.00642
           Y            0.02671   0.99479  -0.09838
           Z            0.00909   0.09817   0.99513
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14351     0.06843     0.06328
 Rotational constants (GHZ):           2.99024     1.42581     1.31863
 Zero-point vibrational energy     431372.7 (Joules/Mol)
                                  103.10056 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     56.45   110.16   255.98   306.35   316.84
          (Kelvin)            378.18   382.36   424.57   481.21   568.57
                              669.74   820.76   877.91   938.29  1036.23
                             1182.66  1200.17  1296.98  1351.76  1367.87
                             1402.26  1534.41  1571.88  1670.07  1688.43
                             1740.63  1770.64  1865.85  1935.87  1969.45
                             1979.49  2018.31  2020.55  2050.79  2140.57
                             2151.58  2169.66  2178.90  2404.31  2593.51
                             4359.55  4366.33  4381.93  4395.17  4446.57
                             4448.47  4455.12  4477.26  5049.14  5149.85
                             5354.86
 
 Zero-point correction=                           0.164301 (Hartree/Particle)
 Thermal correction to Energy=                    0.173844
 Thermal correction to Enthalpy=                  0.174788
 Thermal correction to Gibbs Free Energy=         0.129724
 Sum of electronic and zero-point Energies=           -402.405090
 Sum of electronic and thermal Energies=              -402.395547
 Sum of electronic and thermal Enthalpies=            -402.394603
 Sum of electronic and thermal Free Energies=         -402.439667
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.089             34.416             94.845
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.438
 Vibrational            107.311             28.455             26.219
 Vibration     1          0.594              1.981              5.297
 Vibration     2          0.599              1.965              3.977
 Vibration     3          0.628              1.870              2.350
 Vibration     4          0.644              1.821              2.018
 Vibration     5          0.647              1.810              1.957
 Vibration     6          0.670              1.741              1.643
 Vibration     7          0.672              1.736              1.624
 Vibration     8          0.689              1.683              1.445
 Vibration     9          0.716              1.607              1.238
 Vibration    10          0.762              1.480              0.981
 Vibration    11          0.823              1.327              0.750
 Vibration    12          0.927              1.095              0.503
 Vibration    13          0.969              1.010              0.432
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.214403D-59        -59.668770       -137.392420
 Total V=0       0.802542D+16         15.904468         36.621391
 Vib (Bot)       0.117635D-72        -72.929464       -167.926297
 Vib (Bot)    1  0.527386D+01          0.722128          1.662762
 Vib (Bot)    2  0.269118D+01          0.429943          0.989979
 Vib (Bot)    3  0.112972D+01          0.052970          0.121969
 Vib (Bot)    4  0.931708D+00         -0.030720         -0.070736
 Vib (Bot)    5  0.898162D+00         -0.046645         -0.107404
 Vib (Bot)    6  0.737907D+00         -0.131998         -0.303937
 Vib (Bot)    7  0.728779D+00         -0.137404         -0.316385
 Vib (Bot)    8  0.646244D+00         -0.189603         -0.436578
 Vib (Bot)    9  0.557114D+00         -0.254056         -0.584985
 Vib (Bot)   10  0.452613D+00         -0.344273         -0.792717
 Vib (Bot)   11  0.363727D+00         -0.439225         -1.011353
 Vib (Bot)   12  0.269669D+00         -0.569169         -1.310561
 Vib (Bot)   13  0.242151D+00         -0.615913         -1.418193
 Vib (V=0)       0.440325D+03          2.643774          6.087514
 Vib (V=0)    1  0.579751D+01          0.763241          1.757428
 Vib (V=0)    2  0.323723D+01          0.510174          1.174719
 Vib (V=0)    3  0.173542D+01          0.239405          0.551250
 Vib (V=0)    4  0.155739D+01          0.192398          0.443013
 Vib (V=0)    5  0.152796D+01          0.184111          0.423932
 Vib (V=0)    6  0.139135D+01          0.143437          0.330275
 Vib (V=0)    7  0.138381D+01          0.141076          0.324840
 Vib (V=0)    8  0.131709D+01          0.119615          0.275423
 Vib (V=0)    9  0.124858D+01          0.096417          0.222009
 Vib (V=0)   10  0.117443D+01          0.069828          0.160785
 Vib (V=0)   11  0.111830D+01          0.048559          0.111811
 Vib (V=0)   12  0.106809D+01          0.028606          0.065868
 Vib (V=0)   13  0.105555D+01          0.023479          0.054063
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.366035D+06          5.563522         12.810483
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3    3  3        33333333                                         1   1  11111111111 1111 11                                    
     7    5  5        10000000                                         8   6  55444443332 2211 00 999 988   7 6 65   4 33222221      
     2    7  0        19995433                                         0   7  10982007649 3176 96 754 032   2 5 17   6 93966217   73 
     2    9  9        26215650                                         3   1  48585436957 1041 36 510 142   0 2 00   5 54563038   79 
 
     X    X  X        XXXXXXXX                                         X   X  XXXXXXXXXXX XXXX XX XXX XXX   X X XX   X XXXXXXXX   XX 
     X                XXXX   X                                         X   X           X    XX XX     X X   X X XX          X        
     X                 X                                               X   X                XX  X     X X   X X  X                   
     X                                                                 X                    XX        X X     X                      
     X                                                                 X                    XX        X X     X                      
                                                                       X                     X          X                            
                                                                       X                     X          X                            
                                                                       X                     X          X                            
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
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                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004353   -0.000000775    0.000006121
      2        6           0.000001141   -0.000003593   -0.000010850
      3        6           0.000005646    0.000003927   -0.000003901
      4        6          -0.000003124   -0.000009459    0.000002167
      5        8          -0.000001229    0.000001383   -0.000001055
      6        6          -0.000001475    0.000005482    0.000008125
      7        7          -0.000003520   -0.000002487    0.000009030
      8        8           0.000002374    0.000002955    0.000003342
      9        1          -0.000003391   -0.000000920   -0.000000224
     10        1           0.000000357   -0.000000377    0.000002720
     11        1           0.000002534    0.000002806   -0.000000496
     12        1           0.000005099   -0.000001615   -0.000004840
     13        1          -0.000003127    0.000001173   -0.000005244
     14        1          -0.000000708    0.000000919   -0.000001633
     15        1           0.000000638   -0.000000524   -0.000001797
     16        1           0.000000884    0.000001280    0.000000263
     17        1           0.000001889   -0.000001151   -0.000001990
     18        1          -0.000000504   -0.000002128    0.000000637
     19        1           0.000000871    0.000003104   -0.000000374
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010850 RMS     0.000003613
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.884361D+02  0.110164D+01 -0.216430D+01
      2   0.110164D+01  0.776212D+02  0.185467D+01
      3  -0.216430D+01  0.185467D+01  0.749960D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.428613D+00 -0.655411D+00  0.119569D+01
      2   0.551079D+01 -0.720619D+01  0.350540D+02
      3   0.595339D+01 -0.265184D+02  0.797204D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.746315D+02 -0.195481D+02  0.472467D+01
      2  -0.404663D+02  0.216914D+02 -0.102005D+02
      3  -0.341652D+02 -0.214331D+01  0.547586D+01
      4  -0.223167D+02  0.442079D+02 -0.192415D+02
      5   0.106865D+02 -0.219306D+02  0.668925D+02
      6  -0.594240D+01  0.982748D+00 -0.913898D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.962523D-01  0.319359D+01 -0.350887D+01  0.471401D+01 -0.370613D+01
      2   0.319359D+01 -0.305306D+01  0.910115D-01 -0.370613D+01 -0.323681D+01
      3  -0.350887D+01  0.910115D-01  0.731480D+00  0.290226D-01 -0.214746D+01
                 6             7             8             9            10 
      1   0.290226D-01 -0.450249D+01  0.374841D+00 -0.676332D+00  0.154767D+01
      2  -0.214746D+01  0.374841D+00 -0.215852D+01  0.251126D+00 -0.270336D+01
      3   0.616946D+00 -0.676332D+00  0.251126D+00  0.785975D+01  0.420902D+01
                11            12            13            14            15 
      1  -0.270336D+01  0.420902D+01 -0.641600D+01  0.306425D+01  0.123930D+00
      2   0.333757D+01  0.264272D+00  0.306425D+01  0.435288D+01  0.297052D+01
      3   0.264272D+00 -0.465673D+00  0.123930D+00  0.297052D+01  0.439334D+00
                16            17            18            19            20 
      1   0.554190D+01  0.145424D+00  0.187453D+00 -0.223417D+01  0.390531D+01
      2   0.145424D+00  0.287896D+01  0.115823D+01  0.390531D+01 -0.558611D+00
      3   0.187453D+00  0.115823D+01 -0.583935D+01 -0.248705D+01  0.161169D+00
                21            22            23            24            25 
      1  -0.248705D+01  0.690968D+01 -0.345100D+00  0.164082D+00 -0.238244D+01
      2   0.161169D+00 -0.345100D+00 -0.993051D+00 -0.126611D+01  0.260922D+00
      3  -0.537603D+00  0.164082D+00 -0.126611D+01  0.125371D+01 -0.846533D+00
                26            27            28            29            30 
      1   0.260922D+00 -0.846533D+00 -0.183419D+01 -0.157909D+01  0.133293D+01
      2  -0.136622D+01  0.105093D+00 -0.157909D+01  0.147634D+00  0.145293D+01
      3   0.105093D+00  0.655008D+01  0.133293D+01  0.145293D+01  0.104776D+00
                31            32            33            34            35 
      1   0.148251D+01  0.829464D+00  0.164222D+01  0.117175D+01  0.183381D+01
      2   0.829464D+00  0.257559D+01  0.165194D+01  0.183381D+01  0.208565D+01
      3   0.164222D+01  0.165194D+01  0.669883D+00  0.546489D+00  0.127078D+00
                36            37            38            39            40 
      1   0.546489D+00  0.386626D+01  0.287454D+01 -0.571950D+00  0.472387D+01
      2   0.127078D+00  0.287454D+01  0.314759D+00 -0.728484D+00 -0.773359D+00
      3  -0.270713D-01 -0.571950D+00 -0.728484D+00  0.667404D+00 -0.155732D+01
                41            42            43            44            45 
      1  -0.773359D+00 -0.155732D+01  0.307087D+00 -0.111387D+01 -0.778567D+00
      2   0.313168D+01  0.858348D+00 -0.111387D+01  0.345871D+00  0.131888D+01
      3   0.858348D+00  0.153028D+01 -0.778567D+00  0.131888D+01  0.266465D+01
                46            47            48            49            50 
      1   0.159006D+01  0.361574D+01 -0.466479D+01  0.387902D+01 -0.337161D+01
      2   0.361574D+01 -0.321292D+01  0.730353D-01 -0.337161D+01 -0.199455D+01
      3  -0.466479D+01  0.730353D-01  0.386749D+00  0.970961D-01 -0.387162D+01
                51            52            53            54            55 
      1   0.970961D-01 -0.369621D+01 -0.124861D+00  0.349004D+00  0.253789D+01
      2  -0.387162D+01 -0.124861D+00 -0.303394D+01 -0.669184D+00 -0.173587D+01
      3   0.249175D+00  0.349004D+00 -0.669184D+00  0.387007D+01  0.120567D+01
                56            57            58            59            60 
      1  -0.173587D+01  0.120567D+01 -0.133684D+01  0.305449D+01 -0.677198D+00
      2   0.391018D+01 -0.744337D+00  0.305449D+01  0.277501D+01  0.121012D+01
      3  -0.744337D+00  0.214581D+01 -0.677198D+00  0.121012D+01 -0.109512D+01
                61            62            63            64            65 
      1   0.144142D+01 -0.957986D+00  0.234447D+01 -0.317716D+01 -0.300417D+01
      2  -0.957986D+00  0.138250D+01 -0.553720D+00 -0.300417D+01 -0.232413D+01
      3   0.234447D+01 -0.553720D+00 -0.362765D+01 -0.191533D+01 -0.127707D+01
                66            67            68            69            70 
      1  -0.191533D+01 -0.517731D+01 -0.294009D+01 -0.111573D+01 -0.251173D+01
      2  -0.127707D+01 -0.294009D+01 -0.907776D+01 -0.274203D+01 -0.115256D+01
      3  -0.105269D+01 -0.111573D+01 -0.274203D+01 -0.258300D+01 -0.184011D+01
                71            72            73            74            75 
      1  -0.115256D+01 -0.184011D+01  0.554048D+00 -0.459959D+00 -0.928764D+00
      2  -0.241854D+01 -0.288997D+01 -0.459959D+00  0.226262D+00 -0.109578D+00
      3  -0.288997D+01 -0.368371D+01 -0.928764D+00 -0.109578D+00  0.279706D+00
                76            77            78            79            80 
      1  -0.110899D+01  0.164374D+00 -0.231702D-01 -0.142122D+01 -0.100036D+00
      2   0.164374D+00  0.525663D+00 -0.111518D+01 -0.100036D+00 -0.139208D+01
      3  -0.231702D-01 -0.111518D+01  0.595398D-02  0.108995D+00  0.500896D+00
                81            82            83            84            85 
      1   0.108995D+00 -0.123185D+01 -0.830206D+00 -0.100459D+01 -0.995916D+00
      2   0.500896D+00 -0.830206D+00 -0.105616D+01 -0.744179D-01 -0.970248D+00
      3  -0.869082D+01 -0.100459D+01 -0.744179D-01 -0.298779D+00 -0.105826D+00
                86            87            88            89            90 
      1  -0.970248D+00 -0.105826D+00 -0.134840D+01 -0.140551D+00 -0.151877D+00
      2  -0.707020D+01 -0.173317D+01 -0.140551D+00 -0.171537D+01 -0.156224D+01
      3  -0.173317D+01 -0.176873D+01 -0.151877D+00 -0.156224D+01 -0.615311D+00
                91            92            93            94            95 
      1  -0.816664D+01 -0.978965D+00  0.235043D+01 -0.355279D+01 -0.138005D+01
      2  -0.978965D+00 -0.132703D+01  0.169103D+00 -0.138005D+01 -0.674417D+00
      3   0.235043D+01  0.169103D+00 -0.167480D+01  0.119097D+01  0.480084D+00
                96            97            98            99           100 
      1   0.119097D+01  0.160171D+01  0.281721D+00 -0.127538D+01 -0.180789D+01
      2   0.480084D+00  0.281721D+00  0.431215D+00 -0.111892D+00  0.249333D+01
      3  -0.801709D+00 -0.127538D+01 -0.111892D+00  0.117728D+01 -0.106209D+01
               101           102           103           104           105 
      1   0.249333D+01 -0.106209D+01  0.224417D+01 -0.269701D+01  0.911003D+00
      2  -0.327028D+01  0.112562D+01 -0.269701D+01  0.497497D+01 -0.145686D+01
      3   0.112562D+01 -0.107574D+01  0.911003D+00 -0.145686D+01  0.124124D+01
               106           107           108           109           110 
      1  -0.169829D+01  0.141686D+01 -0.118965D+01 -0.795051D-01  0.643274D+00
      2   0.141686D+01 -0.248545D+01  0.157241D+01  0.643274D+00 -0.262988D+00
      3  -0.118965D+01  0.157241D+01 -0.141923D+01  0.178829D+00 -0.340303D+00
               111           112           113           114           115 
      1   0.178829D+00  0.480960D+00 -0.210731D+00 -0.358898D+00  0.935625D+00
      2  -0.340303D+00 -0.210731D+00  0.107496D+01  0.799046D+00 -0.490552D+00
      3  -0.742163D+00 -0.358898D+00  0.799046D+00  0.877369D+00 -0.799324D+00
               116           117           118           119           120 
      1  -0.490552D+00 -0.799324D+00  0.922134D+00  0.691785D+00  0.122286D+01
      2   0.200392D+01  0.135880D+01  0.691785D+00  0.133752D+01  0.568440D+00
      3   0.135880D+01  0.524302D+01  0.122286D+01  0.568440D+00  0.961489D+00
               121           122           123           124           125 
      1   0.125640D+01  0.124915D+01  0.831502D+00  0.994503D+00  0.463453D+00
      2   0.124915D+01  0.483495D+01  0.226632D+01  0.463453D+00  0.175151D+01
      3   0.831502D+00  0.226632D+01  0.306732D+01  0.571178D+00  0.167226D+01
               126           127           128           129           130 
      1   0.571178D+00 -0.548640D+01 -0.144485D+01  0.253547D+01 -0.151838D+01
      2   0.167226D+01 -0.144485D+01 -0.107180D+01  0.944527D+00 -0.707323D+00
      3   0.211564D+01  0.253547D+01  0.944527D+00 -0.320162D+01  0.604877D+00
               131           132           133           134           135 
      1  -0.707323D+00  0.604877D+00  0.202533D+01  0.561961D+00 -0.195344D+01
      2  -0.978634D+00  0.132000D+01  0.561961D+00  0.984388D+00 -0.779605D+00
      3   0.132000D+01 -0.112818D+01 -0.195344D+01 -0.779605D+00  0.252688D+01
               136           137           138           139           140 
      1   0.400128D+01 -0.269489D+01  0.249347D+01 -0.294409D+01  0.271140D+01
      2  -0.269489D+01  0.264933D+01 -0.137385D+01  0.271140D+01 -0.363324D+01
      3   0.249347D+01 -0.137385D+01  0.229723D+01 -0.142137D+01  0.240532D+01
               141           142           143           144           145 
      1  -0.142137D+01  0.148715D+01 -0.919841D+00  0.151852D+01  0.152561D+01
      2   0.240532D+01 -0.919841D+00  0.157070D+01 -0.144775D+01  0.131629D+01
      3  -0.231970D+01  0.151852D+01 -0.144775D+01  0.186816D+01  0.508663D+00
               146           147           148           149           150 
      1   0.131629D+01  0.508663D+00  0.270464D+01  0.224736D+01 -0.110467D+00
      2   0.168293D+01  0.111809D+00  0.224736D+01  0.585394D+01  0.646534D+00
      3   0.111809D+00  0.298944D+00 -0.110467D+00  0.646534D+00  0.131646D+01
               151           152           153           154           155 
      1   0.130345D+01  0.369605D+00  0.523163D+00  0.704584D+01 -0.301125D+01
      2   0.369605D+00  0.119134D+01  0.863059D+00 -0.301125D+01  0.228428D+01
      3   0.523163D+00  0.863059D+00 -0.167343D+00  0.991424D+00 -0.362900D+00
               156           157           158           159           160 
      1   0.991424D+00 -0.476572D+01  0.309716D+01 -0.288247D+00  0.272996D+01
      2  -0.362900D+00  0.309716D+01 -0.260309D+01  0.690190D+00 -0.736032D+00
      3   0.102852D+01 -0.288247D+00  0.690190D+00 -0.112551D+01  0.124186D+01
               161           162           163           164           165 
      1  -0.736032D+00  0.124186D+01  0.330769D+00 -0.291244D+00 -0.885343D+00
      2   0.999036D+00 -0.782306D+00 -0.291244D+00  0.246503D+00  0.490178D-01
      3  -0.782306D+00  0.154405D+00 -0.885343D+00  0.490178D-01  0.146947D+00
               166           167           168           169           170 
      1  -0.579230D+00  0.684007D+00  0.635276D-01 -0.197912D+01  0.276859D-01
      2   0.684007D+00  0.162106D+00 -0.965983D+00  0.276859D-01 -0.105498D+01
      3   0.635276D-01 -0.965983D+00 -0.445719D+00  0.212008D+01 -0.131177D+00
               171 
      1   0.212008D+01
      2  -0.131177D+00
      3  -0.995944D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.307415D+01  0.261476D+01  0.227003D+00  0.357775D+01  0.234605D+01
      2  -0.100354D+02  0.294927D+01  0.375480D+00  0.421204D+01 -0.904802D+01
      3  -0.873902D+01  0.621153D+01  0.707149D+00  0.142477D+02  0.109832D+02
                 6             7             8             9            10 
      1  -0.539412D+00  0.616616D+00  0.326771D+01 -0.304764D+00  0.348341D+01
      2   0.142499D+01 -0.967480D+01  0.903091D+00  0.227150D+02  0.797709D+01
      3   0.510448D+01 -0.988123D+00  0.613957D+01 -0.126161D+01  0.384315D+01
                11            12            13            14            15 
      1  -0.280178D+00 -0.375099D-01 -0.735789D+00  0.342558D+01 -0.429584D+01
      2  -0.820458D+00  0.436840D+01 -0.435939D+01  0.389728D+01 -0.684438D-01
      3  -0.459763D+01 -0.144603D+01  0.137757D+01 -0.986873D+01 -0.458013D+01
                16            17            18            19            20 
      1  -0.476333D+00  0.253472D+01 -0.296553D+01 -0.403739D+01  0.349319D+00
      2  -0.248401D+01  0.130085D+01 -0.623470D+01  0.354163D+00  0.103464D+01
      3  -0.634903D+00 -0.382990D+01 -0.271907D+00  0.807006D+00 -0.436014D+01
                21            22            23            24            25 
      1  -0.117899D+01 -0.108398D+01  0.808321D+00  0.200144D+01 -0.157315D+00
      2   0.520349D+00  0.717580D+01 -0.740969D+00  0.157276D+01 -0.688253D+01
      3   0.147824D+01  0.221646D+01  0.347889D+00  0.294340D+01 -0.127471D+01
                26            27            28            29            30 
      1   0.542994D+01 -0.208089D+01  0.103905D+01  0.264470D+00  0.201514D+01
      2  -0.580264D-01 -0.263510D+01 -0.974708D+01 -0.440920D+00 -0.235148D+01
      3   0.137675D+01 -0.220237D+00 -0.624649D+01  0.918261D+00 -0.197266D+01
                31            32            33            34            35 
      1   0.270531D+01 -0.598283D+01  0.573973D+00 -0.188949D+01  0.233639D+01
      2   0.829325D+01 -0.550491D+00 -0.482612D+01 -0.127514D+02 -0.364801D+01
      3   0.548883D+01  0.980007D+01 -0.613052D+00 -0.567861D+01 -0.219862D+01
                36            37            38            39            40 
      1   0.760798D+01  0.104337D+01 -0.131422D+00  0.134212D+01  0.196944D+01
      2   0.400980D+01  0.785612D+00  0.205537D-01  0.225960D+01 -0.705775D+00
      3   0.193508D+01  0.625337D+01 -0.148730D+01 -0.111802D+01  0.450911D+01
                41            42            43            44            45 
      1   0.250105D+01 -0.271111D+01  0.938616D+00  0.351378D+01 -0.143699D+01
      2  -0.352757D+01 -0.286236D+01 -0.992513D-01 -0.287319D+01 -0.732326D+01
      3   0.868739D+01  0.170963D+01  0.244877D+01  0.220796D+01  0.201821D+01
                46            47            48            49            50 
      1   0.351682D+01 -0.613666D+01  0.565511D+00 -0.639169D+01 -0.647182D+01
      2  -0.107355D+02 -0.716312D+01  0.133841D+02 -0.575873D+01  0.770762D+00
      3  -0.635538D+01 -0.319490D+00  0.304831D+01  0.398483D+01  0.522323D+01
                51            52            53            54            55 
      1  -0.115722D+02  0.255540D-01 -0.478995D+01  0.261933D+01 -0.197710D+01
      2  -0.663654D-01  0.615432D+01 -0.562215D+00  0.347399D+01  0.865134D+00
      3   0.499884D+01  0.277944D+01  0.386182D+01  0.492226D+00  0.639914D+01
                56            57            58            59            60 
      1   0.105200D+01 -0.592625D+01  0.106688D+01 -0.509264D+01 -0.333104D+01
      2   0.120279D+01  0.455515D+01 -0.147456D+01  0.810968D-01  0.925445D-01
      3  -0.106721D+02  0.174083D+01  0.287631D+01  0.738140D+01 -0.282272D+01
                61            62            63            64            65 
      1  -0.478731D+01  0.655891D+01  0.907717D+01  0.144426D+01  0.250358D+01
      2  -0.124283D+01  0.339313D+00 -0.493430D+00  0.119264D+01  0.379645D+00
      3   0.310043D+01 -0.204440D+01  0.582257D+01  0.111678D+01 -0.514583D+01
                66            67            68            69            70 
      1  -0.313567D+01  0.206095D+00  0.491340D+01 -0.706181D+01  0.722461D+00
      2   0.551212D+01 -0.818660D+01  0.248636D+01  0.583161D+01  0.245358D+00
      3  -0.658602D+00  0.368876D+01 -0.156713D+02 -0.313737D+01  0.105080D+01
                71            72            73            74            75 
      1   0.335228D+01 -0.298585D+01  0.817984D+00 -0.253177D+00  0.885931D-01
      2   0.585743D+01  0.397594D+01  0.120252D+01 -0.287472D+00 -0.502684D-02
      3  -0.205069D+01 -0.478244D+01  0.102934D+01 -0.422465D+00 -0.721265D+00
                76            77            78            79            80 
      1  -0.112604D-01 -0.539415D+00 -0.103666D+00  0.120506D+00  0.356097D+01
      2  -0.837936D+00  0.462435D+00 -0.950510D-01 -0.368594D+01  0.318212D-01
      3   0.123635D+01  0.143221D+00 -0.505147D+00 -0.272800D+00 -0.403128D+00
                81            82            83            84            85 
      1   0.198078D+01 -0.130748D+01  0.529933D-01 -0.592540D+00 -0.156841D+00
      2   0.825244D+00 -0.200356D+01 -0.387101D+00  0.240341D-01 -0.817872D+00
      3  -0.160837D-01  0.331506D+01  0.132644D+01  0.107812D+01  0.532358D+01
                86            87            88            89            90 
      1   0.646284D-01 -0.365153D+01 -0.226926D+00  0.319971D+00 -0.582954D+00
      2  -0.200678D+01 -0.171329D+01 -0.223038D+01 -0.182775D+01 -0.745184D+00
      3   0.893982D+01  0.241365D+01  0.209367D+01  0.226726D+01  0.215399D+01
                91            92            93            94            95 
      1  -0.175340D+01 -0.126355D+01  0.389203D+00 -0.873035D+00 -0.100274D+01
      2  -0.753097D+00  0.352743D+00  0.394660D+01 -0.919170D+00 -0.470623D+00
      3  -0.460786D+01 -0.452447D+01  0.152946D+01 -0.291119D+01 -0.312588D+01
                96            97            98            99           100 
      1  -0.159731D+00  0.830078D+00  0.505941D+00 -0.462278D+00  0.142562D+01
      2   0.209248D+01  0.870409D+00  0.510079D+00 -0.163471D+01 -0.125677D+01
      3   0.950079D+00  0.161490D+01  0.139593D+01 -0.754204D+00 -0.555996D+01
               101           102           103           104           105 
      1  -0.176460D+01  0.330004D+01 -0.159431D+01  0.148704D+01 -0.332527D+01
      2   0.516459D+00  0.513717D+00  0.765289D+00 -0.548946D+00 -0.384631D+00
      3   0.446088D+01 -0.251699D+01  0.736258D+01 -0.590252D+01  0.274063D+01
               106           107           108           109           110 
      1   0.216204D+01 -0.145012D+01  0.230097D+01 -0.261336D+00  0.919982D+00
      2  -0.153321D+01  0.253423D+00 -0.329126D-01  0.747380D+00  0.872183D-02
      3  -0.444048D+01  0.339130D+01 -0.307643D+01 -0.298660D+00  0.378046D+00
               111           112           113           114           115 
      1   0.206090D+01  0.108881D+01 -0.187019D+01 -0.248812D+01  0.192200D+01
      2  -0.210933D+00 -0.669641D-02 -0.404941D-01  0.359415D+00 -0.251553D+01
      3   0.549282D+00  0.130134D+01 -0.763209D+00 -0.105770D+01  0.264390D+01
               116           117           118           119           120 
      1  -0.145750D+01 -0.141356D+02  0.191585D+01  0.298557D+01  0.124533D+01
      2   0.364160D+00  0.908845D+00  0.284336D+00 -0.437213D+00  0.355783D+00
      3  -0.112604D+01 -0.245432D+01 -0.662589D+00 -0.279005D+01 -0.125136D+01
               121           122           123           124           125 
      1   0.242538D+01  0.130292D+02  0.356838D+01  0.149919D+01  0.574193D+01
      2  -0.233567D+01  0.963070D+00  0.320898D+01 -0.228095D+01  0.116366D+01
      3   0.562573D-01 -0.793158D+01 -0.290756D+01 -0.547768D+00 -0.235053D+01
               126           127           128           129           130 
      1   0.379977D+01 -0.708099D+00 -0.231918D+01 -0.136490D+01 -0.967929D+00
      2   0.175365D+01  0.163959D+02  0.371508D+01 -0.585039D+01  0.391079D+01
      3  -0.247010D+01  0.655707D+01  0.283292D+00 -0.250260D+01  0.317476D+01
               131           132           133           134           135 
      1  -0.595261D+00  0.548661D+00 -0.482731D+00  0.257724D+01  0.475026D+00
      2   0.265954D+01 -0.178063D+01 -0.811040D+01 -0.202143D+01  0.541017D+01
      3   0.112539D+01 -0.182814D+01 -0.231091D+01 -0.612568D+00  0.222577D+01
               136           137           138           139           140 
      1  -0.290166D+01  0.467967D+01  0.344076D+00  0.374966D+01 -0.488395D+01
      2  -0.406444D+01  0.282988D+01  0.108666D+01  0.414179D+01 -0.139822D+01
      3  -0.209534D-01 -0.319677D+01  0.258252D+00  0.341975D+00  0.354729D+01
               141           142           143           144           145 
      1   0.499224D+00 -0.865270D+00  0.301650D+01 -0.779974D+00 -0.106953D+01
      2  -0.162905D+01 -0.278127D+01  0.799501D-01  0.291787D+00  0.245950D+01
      3  -0.219935D+01 -0.598890D+00 -0.193183D+01  0.828796D+00 -0.390871D+01
               146           147           148           149           150 
      1  -0.151466D+01 -0.791604D+00 -0.147799D+01 -0.444802D+01 -0.280662D+01
      2   0.137162D+01  0.204719D+01  0.128878D+01  0.422117D+01  0.460858D+01
      3  -0.535570D+01 -0.302557D+00 -0.332828D+01 -0.189646D+02 -0.235198D+01
               151           152           153           154           155 
      1  -0.406416D+00  0.441398D-01 -0.868688D+00  0.235730D+01 -0.155884D+01
      2   0.899524D+00  0.258571D+01  0.243776D+00  0.770627D+01 -0.368771D+01
      3  -0.412758D+00 -0.389207D+01 -0.225817D+01  0.565124D+01 -0.817029D+01
               156           157           158           159           160 
      1   0.149298D+01 -0.200836D+01  0.173816D+01 -0.237946D+01  0.746637D+00
      2   0.608481D+01 -0.397433D+01  0.437260D+01 -0.470882D+01  0.396763D+01
      3   0.107813D+01 -0.601309D+01  0.743126D+01 -0.208909D+01  0.111277D+01
               161           162           163           164           165 
      1  -0.123383D+00  0.927066D+00  0.464603D-01 -0.200073D+00 -0.434333D-01
      2  -0.263673D+01  0.186936D+01 -0.246036D+01 -0.222629D+00  0.887842D+00
      3  -0.336759D+01  0.190171D+01  0.872318D+00 -0.134508D+01  0.902937D-01
               166           167           168           169           170 
      1  -0.402595D+00 -0.361380D+00 -0.269839D+00  0.263230D+00  0.386938D+01
      2  -0.411026D+00 -0.158219D+01 -0.105659D+01 -0.851010D-01 -0.323756D+00
      3  -0.713454D+00 -0.820644D+00  0.214647D+01  0.315280D+00  0.316678D+01
               171 
      1  -0.125253D+01
      2  -0.252932D+02
      3   0.187144D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.197819D+01  0.184988D+02 -0.197780D+02  0.230766D+02 -0.229460D+02
      2  -0.499633D+01 -0.761377D+01  0.853676D+01 -0.108835D+02  0.585456D+01
      3   0.697452D+01 -0.108850D+02  0.112412D+02 -0.121932D+02  0.170914D+02
      4   0.219062D+02 -0.193027D+02  0.240993D+01 -0.269282D+02 -0.149852D+02
      5  -0.198813D+02 -0.114296D+01  0.467483D+01 -0.199302D+01 -0.922820D+01
      6  -0.822835D+00  0.232710D+01 -0.247781D+00  0.192462D+01  0.401453D+01
                 6             7             8             9            10 
      1   0.771829D+00 -0.237354D+02  0.249335D+01  0.109994D+02 -0.101585D+02
      2   0.479647D+00  0.736521D+01 -0.388939D+00  0.109162D+02  0.115990D+01
      3  -0.125148D+01  0.163702D+02 -0.210441D+01 -0.219156D+02  0.899856D+01
      4  -0.108112D+02  0.474015D+01 -0.127456D+02  0.327923D+01 -0.807751D+01
      5   0.190576D+01  0.241491D+00  0.188438D+01  0.350523D+02  0.132007D+02
      6   0.168248D+01  0.786994D+00  0.151589D+01 -0.564170D+01 -0.521477D+01
                11            12            13            14            15 
      1  -0.578020D+01  0.123858D+02 -0.793800D+01  0.158828D+02  0.402528D+01
      2   0.116651D+01 -0.875744D+01  0.336444D+01 -0.195630D+02 -0.717675D+01
      3   0.461369D+01 -0.362833D+01  0.457355D+01  0.368021D+01  0.315148D+01
      4   0.725078D+01 -0.243191D+01  0.165881D+02  0.654587D+01  0.605783D+01
      5   0.111402D+01 -0.142285D+01  0.325066D+01  0.604408D+01  0.117802D+01
      6   0.321076D-01  0.208524D+00  0.964035D+00 -0.851450D+01  0.233022D+01
                16            17            18            19            20 
      1   0.163976D+02  0.282365D+01  0.489847D+01 -0.140305D+02 -0.265393D+01
      2  -0.795106D+01 -0.384637D+01 -0.820655D+00  0.176499D+02  0.285321D+01
      3  -0.844651D+01  0.102272D+01 -0.407782D+01 -0.361944D+01 -0.199280D+00
      4  -0.262798D+01  0.569286D+01  0.160080D+01  0.570256D+01  0.265178D+01
      5  -0.146066D+01  0.257774D+01 -0.150248D+02  0.368301D+01 -0.610579D+00
      6  -0.494827D+00 -0.271793D+01  0.297251D+01  0.286166D+01 -0.878778D+00
                21            22            23            24            25 
      1   0.147895D+01 -0.104391D+01 -0.276644D-01  0.350975D+01 -0.722702D+01
      2   0.385732D+00 -0.126030D+00 -0.455510D+01 -0.204632D+01  0.194431D+01
      3  -0.186469D+01  0.116994D+01  0.458276D+01 -0.146343D+01  0.528271D+01
      4   0.203493D+01 -0.116088D+02  0.124733D+01 -0.108113D+00 -0.675870D+00
      5   0.499741D+00  0.204631D+01  0.630891D+00  0.633688D+00  0.129559D+01
      6   0.566460D+00 -0.299178D+00  0.167349D+01 -0.410354D+01 -0.159734D+01
                26            27            28            29            30 
      1   0.230329D+01  0.108601D+02  0.531297D+01  0.981548D+01 -0.216782D+01
      2  -0.608997D+01  0.130426D+02 -0.914723D+01 -0.939252D+01 -0.249657D+01
      3   0.378668D+01 -0.239026D+02  0.383426D+01 -0.422962D+00  0.466439D+01
      4  -0.277517D+01 -0.479968D+00 -0.759766D+00 -0.996086D+01 -0.720275D+01
      5  -0.169710D+01  0.196559D+01 -0.412781D+01 -0.777487D+01 -0.901487D+01
      6   0.131033D+01  0.458873D+01 -0.596826D+01 -0.148574D+01 -0.341504D+01
                31            32            33            34            35 
      1   0.273947D+00  0.567833D+01 -0.457727D+00 -0.300481D+01 -0.442822D+01
      2  -0.419506D+01 -0.133581D+02  0.570706D+01  0.691557D-01 -0.206875D+01
      3   0.392111D+01  0.767981D+01 -0.524933D+01  0.293565D+01  0.649697D+01
      4  -0.152838D+02 -0.201567D+02 -0.521683D+01 -0.135071D+02 -0.192518D+01
      5  -0.160046D+02 -0.712086D+01 -0.996029D+01 -0.474464D+01 -0.355868D+01
      6  -0.231857D+01 -0.848886D+01 -0.550371D+01 -0.338755D+00 -0.146007D+00
                36            37            38            39            40 
      1  -0.327498D+01 -0.116646D+02 -0.141170D+02  0.412454D+01 -0.222806D+02
      2  -0.190261D+00  0.845683D+01  0.693193D+01  0.523085D+00  0.119853D+02
      3   0.346524D+01  0.320772D+01  0.718502D+01 -0.464763D+01  0.102953D+02
      4  -0.307083D+01 -0.174755D+02  0.756223D+01  0.519679D+01  0.995537D+01
      5   0.309478D+01  0.503849D+01  0.547241D+01  0.469515D+01  0.114942D+02
      6  -0.685934D+01  0.479181D+01 -0.288435D+00 -0.326883D+01 -0.125067D+01
                41            42            43            44            45 
      1  -0.244428D+01  0.396083D+01  0.294073D+01  0.174166D+01 -0.323673D+01
      2   0.659821D+01 -0.441848D+01 -0.113859D+01 -0.131185D+01 -0.721224D+01
      3  -0.415393D+01  0.457643D+00 -0.180213D+01 -0.429810D+00  0.104490D+02
      4  -0.146928D+02 -0.500075D+01  0.738690D+01 -0.481341D+01 -0.699568D+01
      5  -0.314294D+01 -0.792500D+01  0.885585D+01 -0.650880D+01 -0.145876D+02
      6   0.384092D+01  0.608057D+01 -0.342291D+01  0.519923D+01  0.336693D+01
                46            47            48            49            50 
      1   0.128193D+02  0.848268D+01 -0.112229D+02  0.754635D+01 -0.343139D+01
      2  -0.193628D+01  0.105953D+00  0.409930D+01 -0.137865D+00  0.101343D+02
      3  -0.108830D+02 -0.858864D+01  0.712356D+01 -0.740849D+01 -0.670293D+01
      4   0.671212D+01 -0.155893D+02  0.871656D+01 -0.168205D+02 -0.819679D+00
      5  -0.501361D+01  0.110059D+02 -0.127513D+02  0.984048D+01 -0.200592D+02
      6   0.170556D+02 -0.110855D+02 -0.143705D+01 -0.125425D+02 -0.358420D+01
                51            52            53            54            55 
      1   0.140578D+01 -0.959992D+01 -0.218585D+00 -0.829403D+01  0.124395D+02
      2   0.422486D+01  0.262643D+01  0.442832D+01 -0.599971D+01 -0.119120D+02
      3  -0.563064D+01  0.697349D+01 -0.420974D+01  0.142937D+02 -0.527455D+00
      4  -0.128863D+02  0.673931D+01 -0.891781D+01 -0.164975D+01  0.529396D+01
      5  -0.588339D+00 -0.122360D+02 -0.254967D+01  0.108119D+02 -0.228507D+01
      6  -0.151355D+02 -0.791780D+00 -0.108113D+02 -0.288348D+01  0.464558D+01
                56            57            58            59            60 
      1  -0.957252D+01  0.466144D+00 -0.802111D+01 -0.121130D+02 -0.359917D+01
      2   0.159209D+02 -0.303884D+01  0.148012D+02  0.210208D+02  0.599459D+01
      3  -0.634834D+01  0.257270D+01 -0.678014D+01 -0.890782D+01 -0.239542D+01
      4  -0.488599D+01  0.338832D+01  0.285181D+01  0.144636D+02 -0.361930D+01
      5   0.220994D+01  0.223530D+01  0.395427D+00 -0.297309D+01  0.140531D+01
      6  -0.570087D+01  0.895675D+01 -0.543572D+01  0.513405D+01  0.203250D+01
                61            62            63            64            65 
      1   0.308518D+01 -0.143169D+01  0.150547D+01  0.164522D+02  0.672987D+01
      2  -0.349986D+01  0.654993D+01 -0.419159D+01 -0.572097D+01  0.111871D+01
      3   0.414680D+00 -0.511824D+01  0.268612D+01 -0.107313D+02 -0.784858D+01
      4   0.416696D+01 -0.275826D+01  0.890121D+01  0.179976D+02  0.199887D+02
      5   0.356829D+01  0.330220D+01 -0.124977D+01  0.130268D+02  0.870029D+01
      6   0.103045D+02 -0.534643D+00 -0.127902D+02  0.578788D+01  0.414734D+01
                66            67            68            69            70 
      1   0.404420D+01  0.808978D+01 -0.133113D+02 -0.445838D+01  0.550857D+01
      2  -0.337931D+01  0.129202D+01  0.297942D+02  0.199706D+01 -0.327093D+01
      3  -0.664891D+00 -0.938181D+01 -0.164829D+02  0.246132D+01 -0.223764D+01
      4   0.771358D+01  0.255629D+02  0.399957D+02  0.109346D+02  0.830813D+01
      5   0.144834D+02  0.106188D+02  0.136944D+02  0.145813D+02  0.150676D+02
      6   0.540451D+01  0.645285D+01  0.142216D+02  0.145363D+02  0.629521D+01
                71            72            73            74            75 
      1  -0.304535D+01 -0.492389D+01  0.141131D+01 -0.111517D+00 -0.427921D+00
      2   0.187163D+01 -0.281884D+01 -0.500831D+01  0.392609D+00  0.373924D+00
      3   0.117372D+01  0.774272D+01  0.359700D+01 -0.281092D+00  0.539977D-01
      4   0.854376D+01  0.123718D+02 -0.642752D+00  0.131303D+01 -0.117352D+01
      5   0.131876D+02  0.167662D+02 -0.130277D+01 -0.499030D+00  0.619831D+01
      6   0.135453D+02  0.111672D+02 -0.124400D+01  0.122546D+00  0.237207D+00
                76            77            78            79            80 
      1   0.798570D+00 -0.397516D+01  0.424302D+00  0.115439D+01  0.274698D+01
      2   0.533586D+00  0.455187D+00 -0.131116D+01  0.539053D+00 -0.124096D+01
      3  -0.133216D+01  0.351997D+01  0.886853D+00 -0.169344D+01 -0.150602D+01
      4   0.275335D+01 -0.244318D+00 -0.133085D+00 -0.233229D-01  0.624960D+00
      5   0.753743D-01 -0.528377D+00 -0.416806D+00  0.541560D+01  0.501630D+00
      6   0.133416D+00 -0.121710D+01  0.694783D+01  0.744230D-01  0.531149D+01
                81            82            83            84            85 
      1  -0.203050D+02 -0.613108D+00 -0.274090D+01 -0.232864D+01 -0.424749D+01
      2  -0.171311D+02  0.375734D+01  0.334435D+01  0.203937D+01  0.434990D+01
      3   0.374361D+02 -0.314423D+01 -0.603450D+00  0.289265D+00 -0.102415D+00
      4  -0.351690D+00  0.176260D+00  0.355415D+01  0.113715D+01  0.226313D+01
      5  -0.258852D+00 -0.149222D+01  0.745047D+00  0.124814D+01  0.871283D+00
      6  -0.708386D+01  0.212999D+01  0.110826D+01  0.798994D+00  0.854249D+00
                86            87            88            89            90 
      1  -0.182781D+02 -0.301966D+01 -0.372221D+01 -0.431858D+01 -0.526559D+01
      2   0.294306D+02  0.617886D+01  0.226649D+01  0.474771D+01  0.331016D+01
      3  -0.111525D+02 -0.315920D+01  0.145573D+01 -0.429126D+00  0.195543D+01
      4  -0.113095D+02 -0.307827D+01  0.384429D+00 -0.303685D+01 -0.227501D+01
      5  -0.314841D+01 -0.382396D+01  0.230903D+01 -0.266943D+01 -0.525466D+00
      6   0.921697D+01  0.675735D+01  0.132248D+01  0.855190D+01  0.482699D+01
                91            92            93            94            95 
      1   0.441593D+02  0.571672D+01 -0.109838D+02  0.170707D+02  0.591324D+01
      2  -0.251789D+02 -0.359602D+01  0.746317D+01 -0.949967D+01 -0.274205D+01
      3  -0.189804D+02 -0.212070D+01  0.352067D+01 -0.757098D+01 -0.317120D+01
      4   0.489365D+01  0.588813D+01 -0.122716D+01  0.907555D+01  0.436750D+01
      5  -0.167403D+02 -0.170259D+01  0.973941D+01 -0.774065D+01 -0.342303D+01
      6  -0.267122D+01 -0.984342D+00  0.100883D+01 -0.327448D+01 -0.185997D+01
                96            97            98            99           100 
      1  -0.492709D+01 -0.505147D+01 -0.505241D+00  0.511026D+01 -0.272014D+01
      2   0.330686D+01  0.448108D+01  0.667863D+00 -0.471173D+01  0.843693D+01
      3   0.162023D+01  0.570399D+00 -0.162623D+00 -0.398526D+00 -0.571679D+01
      4  -0.298385D+01 -0.918766D+00 -0.160822D+01  0.816770D+00 -0.885783D+01
      5   0.467815D+01  0.946138D+01  0.131739D+01 -0.637795D+01  0.302370D+01
      6   0.202277D+01  0.775889D+00  0.124865D+01 -0.873635D+00 -0.610307D+01
               101           102           103           104           105 
      1   0.789979D+01 -0.243033D+01  0.655906D+01 -0.131008D+02  0.401407D+01
      2  -0.152212D+02  0.404211D+01 -0.121430D+02  0.241413D+02 -0.669294D+01
      3   0.732139D+01 -0.161178D+01  0.558391D+01 -0.110405D+02  0.267887D+01
      4   0.134450D+02 -0.503156D+01  0.117048D+02 -0.126450D+02  0.436131D+01
      5  -0.302603D+01  0.325559D+01 -0.167405D+01  0.285817D+01 -0.151788D+01
      6   0.786581D+01 -0.630066D+01  0.606629D+01 -0.998615D+01  0.721940D+01
               106           107           108           109           110 
      1  -0.393843D+01  0.610812D+01 -0.525497D+01 -0.163814D+01  0.139147D+01
      2   0.504962D+01 -0.852684D+01  0.466086D+01  0.203881D+01 -0.158468D+01
      3  -0.111119D+01  0.241872D+01  0.594107D+00 -0.400672D+00  0.193205D+00
      4  -0.622382D+01  0.599634D+01 -0.513096D+01  0.604843D+00  0.336050D+01
      5   0.328826D+01 -0.258069D+01  0.255593D+01 -0.120313D+01 -0.125738D+00
      6  -0.651244D+01  0.100851D+02 -0.728567D+01  0.463783D+00 -0.230993D+01
               111           112           113           114           115 
      1   0.174691D+01  0.108566D+01 -0.335285D+01 -0.254104D+01  0.110279D+01
      2  -0.987656D+00 -0.106319D+01  0.451700D+01  0.280937D+01 -0.130681D+01
      3  -0.759251D+00 -0.224715D-01 -0.116416D+01 -0.268332D+00  0.204025D+00
      4   0.611355D+00  0.307967D+01 -0.826771D+00 -0.129216D+01  0.333932D+01
      5   0.170825D+01  0.138012D+00 -0.408354D+00 -0.265507D+00  0.126051D+01
      6  -0.315663D+01 -0.167194D+01  0.308471D+01  0.630509D+01 -0.373998D+01
               116           117           118           119           120 
      1  -0.561197D+01 -0.757086D+01  0.223342D+01  0.204514D+01  0.194912D+01
      2   0.717803D+01  0.124156D+01 -0.335500D+01 -0.289691D+01 -0.376008D+01
      3  -0.156605D+01  0.632930D+01  0.112158D+01  0.851764D+00  0.181096D+01
      4  -0.178637D+01 -0.348113D+01  0.349682D+01  0.687329D+01  0.152309D+01
      5  -0.103106D+01 -0.102257D+01  0.636556D+01  0.405586D+01  0.815496D+01
      6   0.725392D+01  0.201227D+02  0.196321D+01  0.540249D+01  0.243249D+01
               121           122           123           124           125 
      1   0.339851D+01 -0.309389D+01 -0.516627D+01  0.122016D+01 -0.314779D+01
      2  -0.424520D+01 -0.149437D+01 -0.708834D+01 -0.281175D+01 -0.451635D+01
      3   0.846691D+00  0.458826D+01  0.122546D+02  0.159159D+01  0.766414D+01
      4   0.658323D+01  0.127927D+02  0.733280D+01  0.961714D+00  0.494590D+01
      5   0.697953D+01  0.110337D+02  0.109574D+02  0.638585D+01  0.627538D+01
      6   0.564422D+01  0.179062D+02  0.112525D+02  0.245073D+01  0.102827D+02
               126           127           128           129           130 
      1  -0.477985D+01 -0.100084D+02 -0.600755D+01  0.129012D+02 -0.505699D+01
      2  -0.546094D+01  0.808735D+00  0.270193D+01  0.202068D+01  0.274120D+01
      3   0.102408D+02  0.919963D+01  0.330562D+01 -0.149219D+02  0.231579D+01
      4   0.475549D+01  0.605796D+01  0.393670D+01 -0.339599D+01  0.472006D+01
      5   0.786532D+01 -0.137434D+02 -0.408053D+01  0.648893D+01 -0.439839D+01
      6   0.762860D+01 -0.791332D+01 -0.588645D+01  0.741192D+01 -0.385932D+01
               131           132           133           134           135 
      1  -0.514427D+01  0.469015D+01  0.912542D+01  0.410756D+01 -0.110775D+02
      2   0.253483D+01 -0.131596D+01  0.146161D+01 -0.943933D+00 -0.362530D+01
      3   0.260944D+01 -0.337419D+01 -0.105870D+02 -0.316362D+01  0.147028D+02
      4   0.140593D+01  0.571515D+00 -0.256311D+01  0.101109D-01  0.226215D+01
      5   0.403585D-01  0.106577D+01  0.812520D+01  0.161685D+01 -0.515812D+01
      6  -0.495857D+01  0.748914D+01  0.494444D+01  0.640136D+01 -0.629154D+01
               136           137           138           139           140 
      1   0.121006D+02 -0.473786D+01  0.234935D+01 -0.514308D+01 -0.223925D+01
      2  -0.707440D+01 -0.486295D-01 -0.554128D+01 -0.154512D+00  0.650045D+01
      3  -0.502618D+01  0.478649D+01  0.319193D+01  0.529759D+01 -0.426119D+01
      4  -0.168005D+02  0.153483D+02 -0.886106D+01  0.161754D+02 -0.175818D+02
      5   0.194385D+02 -0.123428D+02  0.163103D+02 -0.132511D+02  0.139799D+02
      6  -0.118188D+02  0.116519D+02 -0.867357D+01  0.113619D+02 -0.160349D+02
               141           142           143           144           145 
      1   0.319209D+01  0.140597D+01  0.231289D+01 -0.182379D+01  0.103152D+02
      2   0.428671D+00 -0.410306D+01  0.877012D+00 -0.400595D+01 -0.188772D+01
      3  -0.362076D+01  0.269709D+01 -0.318990D+01  0.582974D+01 -0.842744D+01
      4   0.101228D+02 -0.547842D+01  0.631503D+01 -0.740471D+01  0.825191D+01
      5  -0.112216D+02  0.122716D+02 -0.805480D+01  0.112124D+02  0.207656D+01
      6   0.137524D+02 -0.663145D+01  0.103072D+02 -0.919931D+01 -0.639489D+00
               146           147           148           149           150 
      1   0.720570D+01  0.317382D+01  0.150360D+02  0.907638D+01  0.248399D+00
      2  -0.166364D+01 -0.106208D+01 -0.527309D+01  0.539022D+01  0.165449D+01
      3  -0.554206D+01 -0.211174D+01 -0.976290D+01 -0.144666D+02 -0.190289D+01
      4   0.141654D+02  0.130671D+01  0.173328D+02  0.330444D+02  0.378348D+01
      5   0.404875D+00  0.241184D+01 -0.156454D+01  0.349556D+01  0.815783D+01
      6  -0.175137D+01  0.382093D+00 -0.143329D+01 -0.469731D+01  0.207471D+01
               151           152           153           154           155 
      1   0.778848D+01  0.164592D+01 -0.318290D-01  0.515119D+02 -0.187264D+02
      2  -0.293432D+01  0.494111D+00 -0.138481D+01 -0.213470D+02  0.593198D+01
      3  -0.485415D+01 -0.214003D+01  0.141664D+01 -0.301649D+02  0.127945D+02
      4   0.255566D+01  0.662988D+01  0.451194D+01 -0.256233D+02  0.190611D+02
      5   0.356610D+01  0.509545D+01 -0.299748D+00  0.241838D+01 -0.804910D+00
      6   0.936792D+00  0.237270D+01  0.123721D+01  0.187966D+01 -0.207029D+01
               156           157           158           159           160 
      1   0.705844D+01 -0.271278D+02  0.146799D+02 -0.220878D+01  0.158756D+02
      2  -0.244952D+01  0.895017D+01  0.559512D-01 -0.509776D+00 -0.643308D+01
      3  -0.460892D+01  0.181776D+02 -0.147358D+02  0.271856D+01 -0.944247D+01
      4  -0.307297D+01  0.251174D+02 -0.201370D+02  0.447788D+01 -0.703460D+01
      5   0.818223D+01  0.184150D+00  0.257290D+01 -0.723611D+01  0.867353D+01
      6  -0.124004D+01 -0.195155D+01  0.114444D+01  0.234815D+01 -0.171826D+01
               161           162           163           164           165 
      1  -0.398065D+01  0.498618D+01  0.197063D+01 -0.186892D+01 -0.522483D+01
      2   0.574456D+00 -0.396648D+01 -0.370175D+01  0.814872D+00  0.343151D+01
      3   0.340620D+01 -0.101970D+01  0.173112D+01  0.105405D+01  0.179332D+01
      4   0.708421D+01 -0.560795D+01 -0.175514D+01  0.296103D+01  0.213155D+00
      5  -0.499904D+01  0.230493D+01 -0.464637D+01  0.256463D+00  0.789871D+01
      6   0.177748D+01 -0.933015D+00  0.816563D+00 -0.215847D+00  0.331828D+00
               166           167           168           169           170 
      1  -0.281070D+01  0.479708D+00 -0.110080D+01 -0.788265D+01 -0.831768D+00
      2   0.117207D+01 -0.122001D+01  0.251141D+00  0.908940D+01  0.308449D+00
      3   0.163863D+01  0.740306D+00  0.849657D+00 -0.120675D+01  0.523319D+00
      4   0.531403D+01  0.637212D+00 -0.467669D+01  0.470417D+00 -0.547624D+01
      5   0.732198D+00 -0.431743D+01 -0.160775D+01  0.170915D+02 -0.100769D+01
      6  -0.152869D+01  0.959280D+00  0.690734D+01 -0.154206D+01  0.666794D+01
               171 
      1  -0.125182D+02
      2  -0.216491D+02
      3   0.341673D+02
      4  -0.205167D+01
      5  -0.492889D+02
      6   0.578560D+01
 Leave Link  716 at Thu Aug 12 21:54:53 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.884361D+02  0.110164D+01 -0.216430D+01
      2   0.110164D+01  0.776212D+02  0.185467D+01
      3  -0.216430D+01  0.185467D+01  0.749960D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.428613D+00 -0.655411D+00  0.119569D+01
      2   0.551079D+01 -0.720619D+01  0.350540D+02
      3   0.595339D+01 -0.265184D+02  0.797204D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.746315D+02 -0.195481D+02  0.472467D+01
      2  -0.404663D+02  0.216914D+02 -0.102005D+02
      3  -0.341652D+02 -0.214331D+01  0.547586D+01
      4  -0.223167D+02  0.442079D+02 -0.192415D+02
      5   0.106865D+02 -0.219306D+02  0.668925D+02
      6  -0.594240D+01  0.982748D+00 -0.913898D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.962523D-01  0.319359D+01 -0.350887D+01  0.471401D+01 -0.370613D+01
      2   0.319359D+01 -0.305306D+01  0.910115D-01 -0.370613D+01 -0.323681D+01
      3  -0.350887D+01  0.910115D-01  0.731480D+00  0.290226D-01 -0.214746D+01
                 6             7             8             9            10 
      1   0.290226D-01 -0.450249D+01  0.374841D+00 -0.676332D+00  0.154767D+01
      2  -0.214746D+01  0.374841D+00 -0.215852D+01  0.251126D+00 -0.270336D+01
      3   0.616946D+00 -0.676332D+00  0.251126D+00  0.785975D+01  0.420902D+01
                11            12            13            14            15 
      1  -0.270336D+01  0.420902D+01 -0.641600D+01  0.306425D+01  0.123930D+00
      2   0.333757D+01  0.264272D+00  0.306425D+01  0.435288D+01  0.297052D+01
      3   0.264272D+00 -0.465673D+00  0.123930D+00  0.297052D+01  0.439334D+00
                16            17            18            19            20 
      1   0.554190D+01  0.145424D+00  0.187453D+00 -0.223417D+01  0.390531D+01
      2   0.145424D+00  0.287896D+01  0.115823D+01  0.390531D+01 -0.558611D+00
      3   0.187453D+00  0.115823D+01 -0.583935D+01 -0.248705D+01  0.161169D+00
                21            22            23            24            25 
      1  -0.248705D+01  0.690968D+01 -0.345100D+00  0.164082D+00 -0.238244D+01
      2   0.161169D+00 -0.345100D+00 -0.993051D+00 -0.126611D+01  0.260922D+00
      3  -0.537603D+00  0.164082D+00 -0.126611D+01  0.125371D+01 -0.846533D+00
                26            27            28            29            30 
      1   0.260922D+00 -0.846533D+00 -0.183419D+01 -0.157909D+01  0.133293D+01
      2  -0.136622D+01  0.105093D+00 -0.157909D+01  0.147634D+00  0.145293D+01
      3   0.105093D+00  0.655008D+01  0.133293D+01  0.145293D+01  0.104776D+00
                31            32            33            34            35 
      1   0.148251D+01  0.829464D+00  0.164222D+01  0.117175D+01  0.183381D+01
      2   0.829464D+00  0.257559D+01  0.165194D+01  0.183381D+01  0.208565D+01
      3   0.164222D+01  0.165194D+01  0.669883D+00  0.546489D+00  0.127078D+00
                36            37            38            39            40 
      1   0.546489D+00  0.386626D+01  0.287454D+01 -0.571950D+00  0.472387D+01
      2   0.127078D+00  0.287454D+01  0.314759D+00 -0.728484D+00 -0.773359D+00
      3  -0.270713D-01 -0.571950D+00 -0.728484D+00  0.667404D+00 -0.155732D+01
                41            42            43            44            45 
      1  -0.773359D+00 -0.155732D+01  0.307087D+00 -0.111387D+01 -0.778567D+00
      2   0.313168D+01  0.858348D+00 -0.111387D+01  0.345871D+00  0.131888D+01
      3   0.858348D+00  0.153028D+01 -0.778567D+00  0.131888D+01  0.266465D+01
                46            47            48            49            50 
      1   0.159006D+01  0.361574D+01 -0.466479D+01  0.387902D+01 -0.337161D+01
      2   0.361574D+01 -0.321292D+01  0.730353D-01 -0.337161D+01 -0.199455D+01
      3  -0.466479D+01  0.730353D-01  0.386749D+00  0.970961D-01 -0.387162D+01
                51            52            53            54            55 
      1   0.970961D-01 -0.369621D+01 -0.124861D+00  0.349004D+00  0.253789D+01
      2  -0.387162D+01 -0.124861D+00 -0.303394D+01 -0.669184D+00 -0.173587D+01
      3   0.249175D+00  0.349004D+00 -0.669184D+00  0.387007D+01  0.120567D+01
                56            57            58            59            60 
      1  -0.173587D+01  0.120567D+01 -0.133684D+01  0.305449D+01 -0.677198D+00
      2   0.391018D+01 -0.744337D+00  0.305449D+01  0.277501D+01  0.121012D+01
      3  -0.744337D+00  0.214581D+01 -0.677198D+00  0.121012D+01 -0.109512D+01
                61            62            63            64            65 
      1   0.144142D+01 -0.957986D+00  0.234447D+01 -0.317716D+01 -0.300417D+01
      2  -0.957986D+00  0.138250D+01 -0.553720D+00 -0.300417D+01 -0.232413D+01
      3   0.234447D+01 -0.553720D+00 -0.362765D+01 -0.191533D+01 -0.127707D+01
                66            67            68            69            70 
      1  -0.191533D+01 -0.517731D+01 -0.294009D+01 -0.111573D+01 -0.251173D+01
      2  -0.127707D+01 -0.294009D+01 -0.907776D+01 -0.274203D+01 -0.115256D+01
      3  -0.105269D+01 -0.111573D+01 -0.274203D+01 -0.258300D+01 -0.184011D+01
                71            72            73            74            75 
      1  -0.115256D+01 -0.184011D+01  0.554048D+00 -0.459959D+00 -0.928764D+00
      2  -0.241854D+01 -0.288997D+01 -0.459959D+00  0.226262D+00 -0.109578D+00
      3  -0.288997D+01 -0.368371D+01 -0.928764D+00 -0.109578D+00  0.279706D+00
                76            77            78            79            80 
      1  -0.110899D+01  0.164374D+00 -0.231702D-01 -0.142122D+01 -0.100036D+00
      2   0.164374D+00  0.525663D+00 -0.111518D+01 -0.100036D+00 -0.139208D+01
      3  -0.231702D-01 -0.111518D+01  0.595398D-02  0.108995D+00  0.500896D+00
                81            82            83            84            85 
      1   0.108995D+00 -0.123185D+01 -0.830206D+00 -0.100459D+01 -0.995916D+00
      2   0.500896D+00 -0.830206D+00 -0.105616D+01 -0.744179D-01 -0.970248D+00
      3  -0.869082D+01 -0.100459D+01 -0.744179D-01 -0.298779D+00 -0.105826D+00
                86            87            88            89            90 
      1  -0.970248D+00 -0.105826D+00 -0.134840D+01 -0.140551D+00 -0.151877D+00
      2  -0.707020D+01 -0.173317D+01 -0.140551D+00 -0.171537D+01 -0.156224D+01
      3  -0.173317D+01 -0.176873D+01 -0.151877D+00 -0.156224D+01 -0.615311D+00
                91            92            93            94            95 
      1  -0.816664D+01 -0.978965D+00  0.235043D+01 -0.355279D+01 -0.138005D+01
      2  -0.978965D+00 -0.132703D+01  0.169103D+00 -0.138005D+01 -0.674417D+00
      3   0.235043D+01  0.169103D+00 -0.167480D+01  0.119097D+01  0.480084D+00
                96            97            98            99           100 
      1   0.119097D+01  0.160171D+01  0.281721D+00 -0.127538D+01 -0.180789D+01
      2   0.480084D+00  0.281721D+00  0.431215D+00 -0.111892D+00  0.249333D+01
      3  -0.801709D+00 -0.127538D+01 -0.111892D+00  0.117728D+01 -0.106209D+01
               101           102           103           104           105 
      1   0.249333D+01 -0.106209D+01  0.224417D+01 -0.269701D+01  0.911003D+00
      2  -0.327028D+01  0.112562D+01 -0.269701D+01  0.497497D+01 -0.145686D+01
      3   0.112562D+01 -0.107574D+01  0.911003D+00 -0.145686D+01  0.124124D+01
               106           107           108           109           110 
      1  -0.169829D+01  0.141686D+01 -0.118965D+01 -0.795051D-01  0.643274D+00
      2   0.141686D+01 -0.248545D+01  0.157241D+01  0.643274D+00 -0.262988D+00
      3  -0.118965D+01  0.157241D+01 -0.141923D+01  0.178829D+00 -0.340303D+00
               111           112           113           114           115 
      1   0.178829D+00  0.480960D+00 -0.210731D+00 -0.358898D+00  0.935625D+00
      2  -0.340303D+00 -0.210731D+00  0.107496D+01  0.799046D+00 -0.490552D+00
      3  -0.742163D+00 -0.358898D+00  0.799046D+00  0.877369D+00 -0.799324D+00
               116           117           118           119           120 
      1  -0.490552D+00 -0.799324D+00  0.922134D+00  0.691785D+00  0.122286D+01
      2   0.200392D+01  0.135880D+01  0.691785D+00  0.133752D+01  0.568440D+00
      3   0.135880D+01  0.524302D+01  0.122286D+01  0.568440D+00  0.961489D+00
               121           122           123           124           125 
      1   0.125640D+01  0.124915D+01  0.831502D+00  0.994503D+00  0.463453D+00
      2   0.124915D+01  0.483495D+01  0.226632D+01  0.463453D+00  0.175151D+01
      3   0.831502D+00  0.226632D+01  0.306732D+01  0.571178D+00  0.167226D+01
               126           127           128           129           130 
      1   0.571178D+00 -0.548640D+01 -0.144485D+01  0.253547D+01 -0.151838D+01
      2   0.167226D+01 -0.144485D+01 -0.107180D+01  0.944527D+00 -0.707323D+00
      3   0.211564D+01  0.253547D+01  0.944527D+00 -0.320162D+01  0.604877D+00
               131           132           133           134           135 
      1  -0.707323D+00  0.604877D+00  0.202533D+01  0.561961D+00 -0.195344D+01
      2  -0.978634D+00  0.132000D+01  0.561961D+00  0.984388D+00 -0.779605D+00
      3   0.132000D+01 -0.112818D+01 -0.195344D+01 -0.779605D+00  0.252688D+01
               136           137           138           139           140 
      1   0.400128D+01 -0.269489D+01  0.249347D+01 -0.294409D+01  0.271140D+01
      2  -0.269489D+01  0.264933D+01 -0.137385D+01  0.271140D+01 -0.363324D+01
      3   0.249347D+01 -0.137385D+01  0.229723D+01 -0.142137D+01  0.240532D+01
               141           142           143           144           145 
      1  -0.142137D+01  0.148715D+01 -0.919841D+00  0.151852D+01  0.152561D+01
      2   0.240532D+01 -0.919841D+00  0.157070D+01 -0.144775D+01  0.131629D+01
      3  -0.231970D+01  0.151852D+01 -0.144775D+01  0.186816D+01  0.508663D+00
               146           147           148           149           150 
      1   0.131629D+01  0.508663D+00  0.270464D+01  0.224736D+01 -0.110467D+00
      2   0.168293D+01  0.111809D+00  0.224736D+01  0.585394D+01  0.646534D+00
      3   0.111809D+00  0.298944D+00 -0.110467D+00  0.646534D+00  0.131646D+01
               151           152           153           154           155 
      1   0.130345D+01  0.369605D+00  0.523163D+00  0.704584D+01 -0.301125D+01
      2   0.369605D+00  0.119134D+01  0.863059D+00 -0.301125D+01  0.228428D+01
      3   0.523163D+00  0.863059D+00 -0.167343D+00  0.991424D+00 -0.362900D+00
               156           157           158           159           160 
      1   0.991424D+00 -0.476572D+01  0.309716D+01 -0.288247D+00  0.272996D+01
      2  -0.362900D+00  0.309716D+01 -0.260309D+01  0.690190D+00 -0.736032D+00
      3   0.102852D+01 -0.288247D+00  0.690190D+00 -0.112551D+01  0.124186D+01
               161           162           163           164           165 
      1  -0.736032D+00  0.124186D+01  0.330769D+00 -0.291244D+00 -0.885343D+00
      2   0.999036D+00 -0.782306D+00 -0.291244D+00  0.246503D+00  0.490178D-01
      3  -0.782306D+00  0.154405D+00 -0.885343D+00  0.490178D-01  0.146947D+00
               166           167           168           169           170 
      1  -0.579230D+00  0.684007D+00  0.635276D-01 -0.197912D+01  0.276859D-01
      2   0.684007D+00  0.162106D+00 -0.965983D+00  0.276859D-01 -0.105498D+01
      3   0.635276D-01 -0.965983D+00 -0.445719D+00  0.212008D+01 -0.131177D+00
               171 
      1   0.212008D+01
      2  -0.131177D+00
      3  -0.995944D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.307415D+01  0.261476D+01  0.227003D+00  0.357775D+01  0.234605D+01
      2  -0.100354D+02  0.294927D+01  0.375480D+00  0.421204D+01 -0.904802D+01
      3  -0.873902D+01  0.621153D+01  0.707149D+00  0.142477D+02  0.109832D+02
                 6             7             8             9            10 
      1  -0.539412D+00  0.616616D+00  0.326771D+01 -0.304764D+00  0.348341D+01
      2   0.142499D+01 -0.967480D+01  0.903091D+00  0.227150D+02  0.797709D+01
      3   0.510448D+01 -0.988123D+00  0.613957D+01 -0.126161D+01  0.384315D+01
                11            12            13            14            15 
      1  -0.280178D+00 -0.375099D-01 -0.735789D+00  0.342558D+01 -0.429584D+01
      2  -0.820458D+00  0.436840D+01 -0.435939D+01  0.389728D+01 -0.684438D-01
      3  -0.459763D+01 -0.144603D+01  0.137757D+01 -0.986873D+01 -0.458013D+01
                16            17            18            19            20 
      1  -0.476333D+00  0.253472D+01 -0.296553D+01 -0.403739D+01  0.349319D+00
      2  -0.248401D+01  0.130085D+01 -0.623470D+01  0.354163D+00  0.103464D+01
      3  -0.634903D+00 -0.382990D+01 -0.271907D+00  0.807006D+00 -0.436014D+01
                21            22            23            24            25 
      1  -0.117899D+01 -0.108398D+01  0.808321D+00  0.200144D+01 -0.157315D+00
      2   0.520349D+00  0.717580D+01 -0.740969D+00  0.157276D+01 -0.688253D+01
      3   0.147824D+01  0.221646D+01  0.347889D+00  0.294340D+01 -0.127471D+01
                26            27            28            29            30 
      1   0.542994D+01 -0.208089D+01  0.103905D+01  0.264470D+00  0.201514D+01
      2  -0.580264D-01 -0.263510D+01 -0.974708D+01 -0.440920D+00 -0.235148D+01
      3   0.137675D+01 -0.220237D+00 -0.624649D+01  0.918261D+00 -0.197266D+01
                31            32            33            34            35 
      1   0.270531D+01 -0.598283D+01  0.573973D+00 -0.188949D+01  0.233639D+01
      2   0.829325D+01 -0.550491D+00 -0.482612D+01 -0.127514D+02 -0.364801D+01
      3   0.548883D+01  0.980007D+01 -0.613052D+00 -0.567861D+01 -0.219862D+01
                36            37            38            39            40 
      1   0.760798D+01  0.104337D+01 -0.131422D+00  0.134212D+01  0.196944D+01
      2   0.400980D+01  0.785612D+00  0.205537D-01  0.225960D+01 -0.705775D+00
      3   0.193508D+01  0.625337D+01 -0.148730D+01 -0.111802D+01  0.450911D+01
                41            42            43            44            45 
      1   0.250105D+01 -0.271111D+01  0.938616D+00  0.351378D+01 -0.143699D+01
      2  -0.352757D+01 -0.286236D+01 -0.992513D-01 -0.287319D+01 -0.732326D+01
      3   0.868739D+01  0.170963D+01  0.244877D+01  0.220796D+01  0.201821D+01
                46            47            48            49            50 
      1   0.351682D+01 -0.613666D+01  0.565511D+00 -0.639169D+01 -0.647182D+01
      2  -0.107355D+02 -0.716312D+01  0.133841D+02 -0.575873D+01  0.770762D+00
      3  -0.635538D+01 -0.319490D+00  0.304831D+01  0.398483D+01  0.522323D+01
                51            52            53            54            55 
      1  -0.115722D+02  0.255540D-01 -0.478995D+01  0.261933D+01 -0.197710D+01
      2  -0.663654D-01  0.615432D+01 -0.562215D+00  0.347399D+01  0.865134D+00
      3   0.499884D+01  0.277944D+01  0.386182D+01  0.492226D+00  0.639914D+01
                56            57            58            59            60 
      1   0.105200D+01 -0.592625D+01  0.106688D+01 -0.509264D+01 -0.333104D+01
      2   0.120279D+01  0.455515D+01 -0.147456D+01  0.810968D-01  0.925445D-01
      3  -0.106721D+02  0.174083D+01  0.287631D+01  0.738140D+01 -0.282272D+01
                61            62            63            64            65 
      1  -0.478731D+01  0.655891D+01  0.907717D+01  0.144426D+01  0.250358D+01
      2  -0.124283D+01  0.339313D+00 -0.493430D+00  0.119264D+01  0.379645D+00
      3   0.310043D+01 -0.204440D+01  0.582257D+01  0.111678D+01 -0.514583D+01
                66            67            68            69            70 
      1  -0.313567D+01  0.206095D+00  0.491340D+01 -0.706181D+01  0.722461D+00
      2   0.551212D+01 -0.818660D+01  0.248636D+01  0.583161D+01  0.245358D+00
      3  -0.658602D+00  0.368876D+01 -0.156713D+02 -0.313737D+01  0.105080D+01
                71            72            73            74            75 
      1   0.335228D+01 -0.298585D+01  0.817984D+00 -0.253177D+00  0.885931D-01
      2   0.585743D+01  0.397594D+01  0.120252D+01 -0.287472D+00 -0.502684D-02
      3  -0.205069D+01 -0.478244D+01  0.102934D+01 -0.422465D+00 -0.721265D+00
                76            77            78            79            80 
      1  -0.112604D-01 -0.539415D+00 -0.103666D+00  0.120506D+00  0.356097D+01
      2  -0.837936D+00  0.462435D+00 -0.950510D-01 -0.368594D+01  0.318212D-01
      3   0.123635D+01  0.143221D+00 -0.505147D+00 -0.272800D+00 -0.403128D+00
                81            82            83            84            85 
      1   0.198078D+01 -0.130748D+01  0.529933D-01 -0.592540D+00 -0.156841D+00
      2   0.825244D+00 -0.200356D+01 -0.387101D+00  0.240341D-01 -0.817872D+00
      3  -0.160837D-01  0.331506D+01  0.132644D+01  0.107812D+01  0.532358D+01
                86            87            88            89            90 
      1   0.646284D-01 -0.365153D+01 -0.226926D+00  0.319971D+00 -0.582954D+00
      2  -0.200678D+01 -0.171329D+01 -0.223038D+01 -0.182775D+01 -0.745184D+00
      3   0.893982D+01  0.241365D+01  0.209367D+01  0.226726D+01  0.215399D+01
                91            92            93            94            95 
      1  -0.175340D+01 -0.126355D+01  0.389203D+00 -0.873035D+00 -0.100274D+01
      2  -0.753097D+00  0.352743D+00  0.394660D+01 -0.919170D+00 -0.470623D+00
      3  -0.460786D+01 -0.452447D+01  0.152946D+01 -0.291119D+01 -0.312588D+01
                96            97            98            99           100 
      1  -0.159731D+00  0.830078D+00  0.505941D+00 -0.462278D+00  0.142562D+01
      2   0.209248D+01  0.870409D+00  0.510079D+00 -0.163471D+01 -0.125677D+01
      3   0.950079D+00  0.161490D+01  0.139593D+01 -0.754204D+00 -0.555996D+01
               101           102           103           104           105 
      1  -0.176460D+01  0.330004D+01 -0.159431D+01  0.148704D+01 -0.332527D+01
      2   0.516459D+00  0.513717D+00  0.765289D+00 -0.548946D+00 -0.384631D+00
      3   0.446088D+01 -0.251699D+01  0.736258D+01 -0.590252D+01  0.274063D+01
               106           107           108           109           110 
      1   0.216204D+01 -0.145012D+01  0.230097D+01 -0.261336D+00  0.919982D+00
      2  -0.153321D+01  0.253423D+00 -0.329126D-01  0.747380D+00  0.872183D-02
      3  -0.444048D+01  0.339130D+01 -0.307643D+01 -0.298660D+00  0.378046D+00
               111           112           113           114           115 
      1   0.206090D+01  0.108881D+01 -0.187019D+01 -0.248812D+01  0.192200D+01
      2  -0.210933D+00 -0.669641D-02 -0.404941D-01  0.359415D+00 -0.251553D+01
      3   0.549282D+00  0.130134D+01 -0.763209D+00 -0.105770D+01  0.264390D+01
               116           117           118           119           120 
      1  -0.145750D+01 -0.141356D+02  0.191585D+01  0.298557D+01  0.124533D+01
      2   0.364160D+00  0.908845D+00  0.284336D+00 -0.437213D+00  0.355783D+00
      3  -0.112604D+01 -0.245432D+01 -0.662589D+00 -0.279005D+01 -0.125136D+01
               121           122           123           124           125 
      1   0.242538D+01  0.130292D+02  0.356838D+01  0.149919D+01  0.574193D+01
      2  -0.233567D+01  0.963070D+00  0.320898D+01 -0.228095D+01  0.116366D+01
      3   0.562573D-01 -0.793158D+01 -0.290756D+01 -0.547768D+00 -0.235053D+01
               126           127           128           129           130 
      1   0.379977D+01 -0.708099D+00 -0.231918D+01 -0.136490D+01 -0.967929D+00
      2   0.175365D+01  0.163959D+02  0.371508D+01 -0.585039D+01  0.391079D+01
      3  -0.247010D+01  0.655707D+01  0.283292D+00 -0.250260D+01  0.317476D+01
               131           132           133           134           135 
      1  -0.595261D+00  0.548661D+00 -0.482731D+00  0.257724D+01  0.475026D+00
      2   0.265954D+01 -0.178063D+01 -0.811040D+01 -0.202143D+01  0.541017D+01
      3   0.112539D+01 -0.182814D+01 -0.231091D+01 -0.612568D+00  0.222577D+01
               136           137           138           139           140 
      1  -0.290166D+01  0.467967D+01  0.344076D+00  0.374966D+01 -0.488395D+01
      2  -0.406444D+01  0.282988D+01  0.108666D+01  0.414179D+01 -0.139822D+01
      3  -0.209534D-01 -0.319677D+01  0.258252D+00  0.341975D+00  0.354729D+01
               141           142           143           144           145 
      1   0.499224D+00 -0.865270D+00  0.301650D+01 -0.779974D+00 -0.106953D+01
      2  -0.162905D+01 -0.278127D+01  0.799501D-01  0.291787D+00  0.245950D+01
      3  -0.219935D+01 -0.598890D+00 -0.193183D+01  0.828796D+00 -0.390871D+01
               146           147           148           149           150 
      1  -0.151466D+01 -0.791604D+00 -0.147799D+01 -0.444802D+01 -0.280662D+01
      2   0.137162D+01  0.204719D+01  0.128878D+01  0.422117D+01  0.460858D+01
      3  -0.535570D+01 -0.302557D+00 -0.332828D+01 -0.189646D+02 -0.235198D+01
               151           152           153           154           155 
      1  -0.406416D+00  0.441398D-01 -0.868688D+00  0.235730D+01 -0.155884D+01
      2   0.899524D+00  0.258571D+01  0.243776D+00  0.770627D+01 -0.368771D+01
      3  -0.412758D+00 -0.389207D+01 -0.225817D+01  0.565124D+01 -0.817029D+01
               156           157           158           159           160 
      1   0.149298D+01 -0.200836D+01  0.173816D+01 -0.237946D+01  0.746637D+00
      2   0.608481D+01 -0.397433D+01  0.437260D+01 -0.470882D+01  0.396763D+01
      3   0.107813D+01 -0.601309D+01  0.743126D+01 -0.208909D+01  0.111277D+01
               161           162           163           164           165 
      1  -0.123383D+00  0.927066D+00  0.464603D-01 -0.200073D+00 -0.434333D-01
      2  -0.263673D+01  0.186936D+01 -0.246036D+01 -0.222629D+00  0.887842D+00
      3  -0.336759D+01  0.190171D+01  0.872318D+00 -0.134508D+01  0.902937D-01
               166           167           168           169           170 
      1  -0.402595D+00 -0.361380D+00 -0.269839D+00  0.263230D+00  0.386938D+01
      2  -0.411026D+00 -0.158219D+01 -0.105659D+01 -0.851010D-01 -0.323756D+00
      3  -0.713454D+00 -0.820644D+00  0.214647D+01  0.315280D+00  0.316678D+01
               171 
      1  -0.125253D+01
      2  -0.252932D+02
      3   0.187144D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.197819D+01  0.184988D+02 -0.197780D+02  0.230766D+02 -0.229460D+02
      2  -0.499633D+01 -0.761377D+01  0.853676D+01 -0.108835D+02  0.585456D+01
      3   0.697452D+01 -0.108850D+02  0.112412D+02 -0.121932D+02  0.170914D+02
      4   0.219062D+02 -0.193027D+02  0.240993D+01 -0.269282D+02 -0.149852D+02
      5  -0.198813D+02 -0.114296D+01  0.467483D+01 -0.199302D+01 -0.922820D+01
      6  -0.822835D+00  0.232710D+01 -0.247781D+00  0.192462D+01  0.401453D+01
                 6             7             8             9            10 
      1   0.771829D+00 -0.237354D+02  0.249335D+01  0.109994D+02 -0.101585D+02
      2   0.479647D+00  0.736521D+01 -0.388939D+00  0.109162D+02  0.115990D+01
      3  -0.125148D+01  0.163702D+02 -0.210441D+01 -0.219156D+02  0.899856D+01
      4  -0.108112D+02  0.474015D+01 -0.127456D+02  0.327923D+01 -0.807751D+01
      5   0.190576D+01  0.241491D+00  0.188438D+01  0.350523D+02  0.132007D+02
      6   0.168248D+01  0.786994D+00  0.151589D+01 -0.564170D+01 -0.521477D+01
                11            12            13            14            15 
      1  -0.578020D+01  0.123858D+02 -0.793800D+01  0.158828D+02  0.402528D+01
      2   0.116651D+01 -0.875744D+01  0.336444D+01 -0.195630D+02 -0.717675D+01
      3   0.461369D+01 -0.362833D+01  0.457355D+01  0.368021D+01  0.315148D+01
      4   0.725078D+01 -0.243191D+01  0.165881D+02  0.654587D+01  0.605783D+01
      5   0.111402D+01 -0.142285D+01  0.325066D+01  0.604408D+01  0.117802D+01
      6   0.321076D-01  0.208524D+00  0.964035D+00 -0.851450D+01  0.233022D+01
                16            17            18            19            20 
      1   0.163976D+02  0.282365D+01  0.489847D+01 -0.140305D+02 -0.265393D+01
      2  -0.795106D+01 -0.384637D+01 -0.820655D+00  0.176499D+02  0.285321D+01
      3  -0.844651D+01  0.102272D+01 -0.407782D+01 -0.361944D+01 -0.199280D+00
      4  -0.262798D+01  0.569286D+01  0.160080D+01  0.570256D+01  0.265178D+01
      5  -0.146066D+01  0.257774D+01 -0.150248D+02  0.368301D+01 -0.610579D+00
      6  -0.494827D+00 -0.271793D+01  0.297251D+01  0.286166D+01 -0.878778D+00
                21            22            23            24            25 
      1   0.147895D+01 -0.104391D+01 -0.276644D-01  0.350975D+01 -0.722702D+01
      2   0.385732D+00 -0.126030D+00 -0.455510D+01 -0.204632D+01  0.194431D+01
      3  -0.186469D+01  0.116994D+01  0.458276D+01 -0.146343D+01  0.528271D+01
      4   0.203493D+01 -0.116088D+02  0.124733D+01 -0.108113D+00 -0.675870D+00
      5   0.499741D+00  0.204631D+01  0.630891D+00  0.633688D+00  0.129559D+01
      6   0.566460D+00 -0.299178D+00  0.167349D+01 -0.410354D+01 -0.159734D+01
                26            27            28            29            30 
      1   0.230329D+01  0.108601D+02  0.531297D+01  0.981548D+01 -0.216782D+01
      2  -0.608997D+01  0.130426D+02 -0.914723D+01 -0.939252D+01 -0.249657D+01
      3   0.378668D+01 -0.239026D+02  0.383426D+01 -0.422962D+00  0.466439D+01
      4  -0.277517D+01 -0.479968D+00 -0.759766D+00 -0.996086D+01 -0.720275D+01
      5  -0.169710D+01  0.196559D+01 -0.412781D+01 -0.777487D+01 -0.901487D+01
      6   0.131033D+01  0.458873D+01 -0.596826D+01 -0.148574D+01 -0.341504D+01
                31            32            33            34            35 
      1   0.273947D+00  0.567833D+01 -0.457727D+00 -0.300481D+01 -0.442822D+01
      2  -0.419506D+01 -0.133581D+02  0.570706D+01  0.691557D-01 -0.206875D+01
      3   0.392111D+01  0.767981D+01 -0.524933D+01  0.293565D+01  0.649697D+01
      4  -0.152838D+02 -0.201567D+02 -0.521683D+01 -0.135071D+02 -0.192518D+01
      5  -0.160046D+02 -0.712086D+01 -0.996029D+01 -0.474464D+01 -0.355868D+01
      6  -0.231857D+01 -0.848886D+01 -0.550371D+01 -0.338755D+00 -0.146007D+00
                36            37            38            39            40 
      1  -0.327498D+01 -0.116646D+02 -0.141170D+02  0.412454D+01 -0.222806D+02
      2  -0.190261D+00  0.845683D+01  0.693193D+01  0.523085D+00  0.119853D+02
      3   0.346524D+01  0.320772D+01  0.718502D+01 -0.464763D+01  0.102953D+02
      4  -0.307083D+01 -0.174755D+02  0.756223D+01  0.519679D+01  0.995537D+01
      5   0.309478D+01  0.503849D+01  0.547241D+01  0.469515D+01  0.114942D+02
      6  -0.685934D+01  0.479181D+01 -0.288435D+00 -0.326883D+01 -0.125067D+01
                41            42            43            44            45 
      1  -0.244428D+01  0.396083D+01  0.294073D+01  0.174166D+01 -0.323673D+01
      2   0.659821D+01 -0.441848D+01 -0.113859D+01 -0.131185D+01 -0.721224D+01
      3  -0.415393D+01  0.457643D+00 -0.180213D+01 -0.429810D+00  0.104490D+02
      4  -0.146928D+02 -0.500075D+01  0.738690D+01 -0.481341D+01 -0.699568D+01
      5  -0.314294D+01 -0.792500D+01  0.885585D+01 -0.650880D+01 -0.145876D+02
      6   0.384092D+01  0.608057D+01 -0.342291D+01  0.519923D+01  0.336693D+01
                46            47            48            49            50 
      1   0.128193D+02  0.848268D+01 -0.112229D+02  0.754635D+01 -0.343139D+01
      2  -0.193628D+01  0.105953D+00  0.409930D+01 -0.137865D+00  0.101343D+02
      3  -0.108830D+02 -0.858864D+01  0.712356D+01 -0.740849D+01 -0.670293D+01
      4   0.671212D+01 -0.155893D+02  0.871656D+01 -0.168205D+02 -0.819679D+00
      5  -0.501361D+01  0.110059D+02 -0.127513D+02  0.984048D+01 -0.200592D+02
      6   0.170556D+02 -0.110855D+02 -0.143705D+01 -0.125425D+02 -0.358420D+01
                51            52            53            54            55 
      1   0.140578D+01 -0.959992D+01 -0.218585D+00 -0.829403D+01  0.124395D+02
      2   0.422486D+01  0.262643D+01  0.442832D+01 -0.599971D+01 -0.119120D+02
      3  -0.563064D+01  0.697349D+01 -0.420974D+01  0.142937D+02 -0.527455D+00
      4  -0.128863D+02  0.673931D+01 -0.891781D+01 -0.164975D+01  0.529396D+01
      5  -0.588339D+00 -0.122360D+02 -0.254967D+01  0.108119D+02 -0.228507D+01
      6  -0.151355D+02 -0.791780D+00 -0.108113D+02 -0.288348D+01  0.464558D+01
                56            57            58            59            60 
      1  -0.957252D+01  0.466144D+00 -0.802111D+01 -0.121130D+02 -0.359917D+01
      2   0.159209D+02 -0.303884D+01  0.148012D+02  0.210208D+02  0.599459D+01
      3  -0.634834D+01  0.257270D+01 -0.678014D+01 -0.890782D+01 -0.239542D+01
      4  -0.488599D+01  0.338832D+01  0.285181D+01  0.144636D+02 -0.361930D+01
      5   0.220994D+01  0.223530D+01  0.395427D+00 -0.297309D+01  0.140531D+01
      6  -0.570087D+01  0.895675D+01 -0.543572D+01  0.513405D+01  0.203250D+01
                61            62            63            64            65 
      1   0.308518D+01 -0.143169D+01  0.150547D+01  0.164522D+02  0.672987D+01
      2  -0.349986D+01  0.654993D+01 -0.419159D+01 -0.572097D+01  0.111871D+01
      3   0.414680D+00 -0.511824D+01  0.268612D+01 -0.107313D+02 -0.784858D+01
      4   0.416696D+01 -0.275826D+01  0.890121D+01  0.179976D+02  0.199887D+02
      5   0.356829D+01  0.330220D+01 -0.124977D+01  0.130268D+02  0.870029D+01
      6   0.103045D+02 -0.534643D+00 -0.127902D+02  0.578788D+01  0.414734D+01
                66            67            68            69            70 
      1   0.404420D+01  0.808978D+01 -0.133113D+02 -0.445838D+01  0.550857D+01
      2  -0.337931D+01  0.129202D+01  0.297942D+02  0.199706D+01 -0.327093D+01
      3  -0.664891D+00 -0.938181D+01 -0.164829D+02  0.246132D+01 -0.223764D+01
      4   0.771358D+01  0.255629D+02  0.399957D+02  0.109346D+02  0.830813D+01
      5   0.144834D+02  0.106188D+02  0.136944D+02  0.145813D+02  0.150676D+02
      6   0.540451D+01  0.645285D+01  0.142216D+02  0.145363D+02  0.629521D+01
                71            72            73            74            75 
      1  -0.304535D+01 -0.492389D+01  0.141131D+01 -0.111517D+00 -0.427921D+00
      2   0.187163D+01 -0.281884D+01 -0.500831D+01  0.392609D+00  0.373924D+00
      3   0.117372D+01  0.774272D+01  0.359700D+01 -0.281092D+00  0.539977D-01
      4   0.854376D+01  0.123718D+02 -0.642752D+00  0.131303D+01 -0.117352D+01
      5   0.131876D+02  0.167662D+02 -0.130277D+01 -0.499030D+00  0.619831D+01
      6   0.135453D+02  0.111672D+02 -0.124400D+01  0.122546D+00  0.237207D+00
                76            77            78            79            80 
      1   0.798570D+00 -0.397516D+01  0.424302D+00  0.115439D+01  0.274698D+01
      2   0.533586D+00  0.455187D+00 -0.131116D+01  0.539053D+00 -0.124096D+01
      3  -0.133216D+01  0.351997D+01  0.886853D+00 -0.169344D+01 -0.150602D+01
      4   0.275335D+01 -0.244318D+00 -0.133085D+00 -0.233229D-01  0.624960D+00
      5   0.753743D-01 -0.528377D+00 -0.416806D+00  0.541560D+01  0.501630D+00
      6   0.133416D+00 -0.121710D+01  0.694783D+01  0.744230D-01  0.531149D+01
                81            82            83            84            85 
      1  -0.203050D+02 -0.613108D+00 -0.274090D+01 -0.232864D+01 -0.424749D+01
      2  -0.171311D+02  0.375734D+01  0.334435D+01  0.203937D+01  0.434990D+01
      3   0.374361D+02 -0.314423D+01 -0.603450D+00  0.289265D+00 -0.102415D+00
      4  -0.351690D+00  0.176260D+00  0.355415D+01  0.113715D+01  0.226313D+01
      5  -0.258852D+00 -0.149222D+01  0.745047D+00  0.124814D+01  0.871283D+00
      6  -0.708386D+01  0.212999D+01  0.110826D+01  0.798994D+00  0.854249D+00
                86            87            88            89            90 
      1  -0.182781D+02 -0.301966D+01 -0.372221D+01 -0.431858D+01 -0.526559D+01
      2   0.294306D+02  0.617886D+01  0.226649D+01  0.474771D+01  0.331016D+01
      3  -0.111525D+02 -0.315920D+01  0.145573D+01 -0.429126D+00  0.195543D+01
      4  -0.113095D+02 -0.307827D+01  0.384429D+00 -0.303685D+01 -0.227501D+01
      5  -0.314841D+01 -0.382396D+01  0.230903D+01 -0.266943D+01 -0.525466D+00
      6   0.921697D+01  0.675735D+01  0.132248D+01  0.855190D+01  0.482699D+01
                91            92            93            94            95 
      1   0.441593D+02  0.571672D+01 -0.109838D+02  0.170707D+02  0.591324D+01
      2  -0.251789D+02 -0.359602D+01  0.746317D+01 -0.949967D+01 -0.274205D+01
      3  -0.189804D+02 -0.212070D+01  0.352067D+01 -0.757098D+01 -0.317120D+01
      4   0.489365D+01  0.588813D+01 -0.122716D+01  0.907555D+01  0.436750D+01
      5  -0.167403D+02 -0.170259D+01  0.973941D+01 -0.774065D+01 -0.342303D+01
      6  -0.267122D+01 -0.984342D+00  0.100883D+01 -0.327448D+01 -0.185997D+01
                96            97            98            99           100 
      1  -0.492709D+01 -0.505147D+01 -0.505241D+00  0.511026D+01 -0.272014D+01
      2   0.330686D+01  0.448108D+01  0.667863D+00 -0.471173D+01  0.843693D+01
      3   0.162023D+01  0.570399D+00 -0.162623D+00 -0.398526D+00 -0.571679D+01
      4  -0.298385D+01 -0.918766D+00 -0.160822D+01  0.816770D+00 -0.885783D+01
      5   0.467815D+01  0.946138D+01  0.131739D+01 -0.637795D+01  0.302370D+01
      6   0.202277D+01  0.775889D+00  0.124865D+01 -0.873635D+00 -0.610307D+01
               101           102           103           104           105 
      1   0.789979D+01 -0.243033D+01  0.655906D+01 -0.131008D+02  0.401407D+01
      2  -0.152212D+02  0.404211D+01 -0.121430D+02  0.241413D+02 -0.669294D+01
      3   0.732139D+01 -0.161178D+01  0.558391D+01 -0.110405D+02  0.267887D+01
      4   0.134450D+02 -0.503156D+01  0.117048D+02 -0.126450D+02  0.436131D+01
      5  -0.302603D+01  0.325559D+01 -0.167405D+01  0.285817D+01 -0.151788D+01
      6   0.786581D+01 -0.630066D+01  0.606629D+01 -0.998615D+01  0.721940D+01
               106           107           108           109           110 
      1  -0.393843D+01  0.610812D+01 -0.525497D+01 -0.163814D+01  0.139147D+01
      2   0.504962D+01 -0.852684D+01  0.466086D+01  0.203881D+01 -0.158468D+01
      3  -0.111119D+01  0.241872D+01  0.594107D+00 -0.400672D+00  0.193205D+00
      4  -0.622382D+01  0.599634D+01 -0.513096D+01  0.604843D+00  0.336050D+01
      5   0.328826D+01 -0.258069D+01  0.255593D+01 -0.120313D+01 -0.125738D+00
      6  -0.651244D+01  0.100851D+02 -0.728567D+01  0.463783D+00 -0.230993D+01
               111           112           113           114           115 
      1   0.174691D+01  0.108566D+01 -0.335285D+01 -0.254104D+01  0.110279D+01
      2  -0.987656D+00 -0.106319D+01  0.451700D+01  0.280937D+01 -0.130681D+01
      3  -0.759251D+00 -0.224715D-01 -0.116416D+01 -0.268332D+00  0.204025D+00
      4   0.611355D+00  0.307967D+01 -0.826771D+00 -0.129216D+01  0.333932D+01
      5   0.170825D+01  0.138012D+00 -0.408354D+00 -0.265507D+00  0.126051D+01
      6  -0.315663D+01 -0.167194D+01  0.308471D+01  0.630509D+01 -0.373998D+01
               116           117           118           119           120 
      1  -0.561197D+01 -0.757086D+01  0.223342D+01  0.204514D+01  0.194912D+01
      2   0.717803D+01  0.124156D+01 -0.335500D+01 -0.289691D+01 -0.376008D+01
      3  -0.156605D+01  0.632930D+01  0.112158D+01  0.851764D+00  0.181096D+01
      4  -0.178637D+01 -0.348113D+01  0.349682D+01  0.687329D+01  0.152309D+01
      5  -0.103106D+01 -0.102257D+01  0.636556D+01  0.405586D+01  0.815496D+01
      6   0.725392D+01  0.201227D+02  0.196321D+01  0.540249D+01  0.243249D+01
               121           122           123           124           125 
      1   0.339851D+01 -0.309389D+01 -0.516627D+01  0.122016D+01 -0.314779D+01
      2  -0.424520D+01 -0.149437D+01 -0.708834D+01 -0.281175D+01 -0.451635D+01
      3   0.846691D+00  0.458826D+01  0.122546D+02  0.159159D+01  0.766414D+01
      4   0.658323D+01  0.127927D+02  0.733280D+01  0.961714D+00  0.494590D+01
      5   0.697953D+01  0.110337D+02  0.109574D+02  0.638585D+01  0.627538D+01
      6   0.564422D+01  0.179062D+02  0.112525D+02  0.245073D+01  0.102827D+02
               126           127           128           129           130 
      1  -0.477985D+01 -0.100084D+02 -0.600755D+01  0.129012D+02 -0.505699D+01
      2  -0.546094D+01  0.808735D+00  0.270193D+01  0.202068D+01  0.274120D+01
      3   0.102408D+02  0.919963D+01  0.330562D+01 -0.149219D+02  0.231579D+01
      4   0.475549D+01  0.605796D+01  0.393670D+01 -0.339599D+01  0.472006D+01
      5   0.786532D+01 -0.137434D+02 -0.408053D+01  0.648893D+01 -0.439839D+01
      6   0.762860D+01 -0.791332D+01 -0.588645D+01  0.741192D+01 -0.385932D+01
               131           132           133           134           135 
      1  -0.514427D+01  0.469015D+01  0.912542D+01  0.410756D+01 -0.110775D+02
      2   0.253483D+01 -0.131596D+01  0.146161D+01 -0.943933D+00 -0.362530D+01
      3   0.260944D+01 -0.337419D+01 -0.105870D+02 -0.316362D+01  0.147028D+02
      4   0.140593D+01  0.571515D+00 -0.256311D+01  0.101109D-01  0.226215D+01
      5   0.403585D-01  0.106577D+01  0.812520D+01  0.161685D+01 -0.515812D+01
      6  -0.495857D+01  0.748914D+01  0.494444D+01  0.640136D+01 -0.629154D+01
               136           137           138           139           140 
      1   0.121006D+02 -0.473786D+01  0.234935D+01 -0.514308D+01 -0.223925D+01
      2  -0.707440D+01 -0.486295D-01 -0.554128D+01 -0.154512D+00  0.650045D+01
      3  -0.502618D+01  0.478649D+01  0.319193D+01  0.529759D+01 -0.426119D+01
      4  -0.168005D+02  0.153483D+02 -0.886106D+01  0.161754D+02 -0.175818D+02
      5   0.194385D+02 -0.123428D+02  0.163103D+02 -0.132511D+02  0.139799D+02
      6  -0.118188D+02  0.116519D+02 -0.867357D+01  0.113619D+02 -0.160349D+02
               141           142           143           144           145 
      1   0.319209D+01  0.140597D+01  0.231289D+01 -0.182379D+01  0.103152D+02
      2   0.428671D+00 -0.410306D+01  0.877012D+00 -0.400595D+01 -0.188772D+01
      3  -0.362076D+01  0.269709D+01 -0.318990D+01  0.582974D+01 -0.842744D+01
      4   0.101228D+02 -0.547842D+01  0.631503D+01 -0.740471D+01  0.825191D+01
      5  -0.112216D+02  0.122716D+02 -0.805480D+01  0.112124D+02  0.207656D+01
      6   0.137524D+02 -0.663145D+01  0.103072D+02 -0.919931D+01 -0.639489D+00
               146           147           148           149           150 
      1   0.720570D+01  0.317382D+01  0.150360D+02  0.907638D+01  0.248399D+00
      2  -0.166364D+01 -0.106208D+01 -0.527309D+01  0.539022D+01  0.165449D+01
      3  -0.554206D+01 -0.211174D+01 -0.976290D+01 -0.144666D+02 -0.190289D+01
      4   0.141654D+02  0.130671D+01  0.173328D+02  0.330444D+02  0.378348D+01
      5   0.404875D+00  0.241184D+01 -0.156454D+01  0.349556D+01  0.815783D+01
      6  -0.175137D+01  0.382093D+00 -0.143329D+01 -0.469731D+01  0.207471D+01
               151           152           153           154           155 
      1   0.778848D+01  0.164592D+01 -0.318290D-01  0.515119D+02 -0.187264D+02
      2  -0.293432D+01  0.494111D+00 -0.138481D+01 -0.213470D+02  0.593198D+01
      3  -0.485415D+01 -0.214003D+01  0.141664D+01 -0.301649D+02  0.127945D+02
      4   0.255566D+01  0.662988D+01  0.451194D+01 -0.256233D+02  0.190611D+02
      5   0.356610D+01  0.509545D+01 -0.299748D+00  0.241838D+01 -0.804910D+00
      6   0.936792D+00  0.237270D+01  0.123721D+01  0.187966D+01 -0.207029D+01
               156           157           158           159           160 
      1   0.705844D+01 -0.271278D+02  0.146799D+02 -0.220878D+01  0.158756D+02
      2  -0.244952D+01  0.895017D+01  0.559512D-01 -0.509776D+00 -0.643308D+01
      3  -0.460892D+01  0.181776D+02 -0.147358D+02  0.271856D+01 -0.944247D+01
      4  -0.307297D+01  0.251174D+02 -0.201370D+02  0.447788D+01 -0.703460D+01
      5   0.818223D+01  0.184150D+00  0.257290D+01 -0.723611D+01  0.867353D+01
      6  -0.124004D+01 -0.195155D+01  0.114444D+01  0.234815D+01 -0.171826D+01
               161           162           163           164           165 
      1  -0.398065D+01  0.498618D+01  0.197063D+01 -0.186892D+01 -0.522483D+01
      2   0.574456D+00 -0.396648D+01 -0.370175D+01  0.814872D+00  0.343151D+01
      3   0.340620D+01 -0.101970D+01  0.173112D+01  0.105405D+01  0.179332D+01
      4   0.708421D+01 -0.560795D+01 -0.175514D+01  0.296103D+01  0.213155D+00
      5  -0.499904D+01  0.230493D+01 -0.464637D+01  0.256463D+00  0.789871D+01
      6   0.177748D+01 -0.933015D+00  0.816563D+00 -0.215847D+00  0.331828D+00
               166           167           168           169           170 
      1  -0.281070D+01  0.479708D+00 -0.110080D+01 -0.788265D+01 -0.831768D+00
      2   0.117207D+01 -0.122001D+01  0.251141D+00  0.908940D+01  0.308449D+00
      3   0.163863D+01  0.740306D+00  0.849657D+00 -0.120675D+01  0.523319D+00
      4   0.531403D+01  0.637212D+00 -0.467669D+01  0.470417D+00 -0.547624D+01
      5   0.732198D+00 -0.431743D+01 -0.160775D+01  0.170915D+02 -0.100769D+01
      6  -0.152869D+01  0.959280D+00  0.690734D+01 -0.154206D+01  0.666794D+01
               171 
      1  -0.125182D+02
      2  -0.216491D+02
      3   0.341673D+02
      4  -0.205167D+01
      5  -0.492889D+02
      6   0.578560D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643014D+00      0.163438D+01      0.545170D+01
   x         -0.215179D+00     -0.546931D+00     -0.182437D+01
   y          0.445633D+00      0.113269D+01      0.377824D+01
   z          0.410580D+00      0.104359D+01      0.348104D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.744131D+02      0.110269D+02      0.122691D+02
   aniso      0.127471D+02      0.188892D+01      0.210171D+01
   xx         0.821626D+02      0.121752D+02      0.135468D+02
   yx         0.197499D+00      0.292664D-01      0.325632D-01
   yy         0.714152D+02      0.105826D+02      0.117748D+02
   zx        -0.230729D+01     -0.341906D+00     -0.380421D+00
   zy         0.172901D+01      0.256213D+00      0.285076D+00
   zz         0.696614D+02      0.103228D+02      0.114856D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.803511D+02      0.119068D+02      0.132481D+02
   aniso      0.134260D+02      0.198953D+01      0.221365D+01
   xx         0.884361D+02      0.131049D+02      0.145811D+02
   yx         0.110164D+01      0.163247D+00      0.181637D+00
   yy         0.776212D+02      0.115023D+02      0.127980D+02
   zx        -0.216430D+01     -0.320716D+00     -0.356844D+00
   zy         0.185467D+01      0.274834D+00      0.305794D+00
   zz         0.749960D+02      0.111133D+02      0.123652D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.87718730          1.31020045         -2.52720801
     6          1.77602786         -0.36299512         -1.47478591
     6         -0.28594311          1.26872684         -0.18610081
     6         -2.63279675         -0.36241919          0.21775983
     8         -3.15548669         -0.81117053          2.68345905
     6          2.83061932         -2.37902118          0.30748124
     7          0.68495975          2.58499014          2.01968707
     8         -3.90793615         -1.21219701         -1.46379190
     1         -0.86963823          2.68901175         -1.56671539
     1          0.83829038         -1.31552143         -3.04855986
     1         -4.64046715         -1.88650245          2.71446645
     1         -0.56638850          3.89192806          2.63872687
     1          0.97246728          1.36981011          3.46875961
     1          3.85124092         -1.52189281          1.88337496
     1          1.34547787         -3.58677578          1.07845712
     1          4.16130300         -3.59157246         -0.69699099
     1          4.78292724          2.37875489         -1.01680800
     1          5.30984503          0.16172798         -3.46738994
     1          3.13704265          2.65609256         -3.90534545

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643014D+00      0.163438D+01      0.545170D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.643014D+00      0.163438D+01      0.545170D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.744131D+02      0.110269D+02      0.122691D+02
   aniso      0.127471D+02      0.188892D+01      0.210171D+01
   xx         0.793245D+02      0.117547D+02      0.130789D+02
   yx         0.357787D+01      0.530185D+00      0.589911D+00
   yy         0.695863D+02      0.103116D+02      0.114732D+02
   zx        -0.416425D+01     -0.617078D+00     -0.686591D+00
   zy        -0.553972D+00     -0.820901D-01     -0.913376D-01
   zz         0.743284D+02      0.110143D+02      0.122551D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.803511D+02      0.119068D+02      0.132481D+02
   aniso      0.134260D+02      0.198953D+01      0.221365D+01
   xx         0.858311D+02      0.127189D+02      0.141516D+02
   yx         0.433423D+01      0.642267D+00      0.714618D+00
   yy         0.754049D+02      0.111738D+02      0.124326D+02
   zx        -0.372098D+01     -0.551392D+00     -0.613507D+00
   zy        -0.254354D+00     -0.376914D-01     -0.419374D-01
   zz         0.798174D+02      0.118277D+02      0.131601D+02

 ----------------------------------------------------------------------
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  THE LARGE PRINT GIVETH,
  AND THE SMALL PRINT TAKETH AWAY.

                     -- TOM WAITS
 Job cpu time:       0 days  7 hours 15 minutes 47.0 seconds.
 Elapsed time:       0 days  0 hours 54 minutes 30.1 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:54:53 2021.
